4-羧丁基三苯基溴化膦(17814-85-6)質(zhì)譜(MS)
分子式:C23H24BrO2P
分子量: 443.31
InChI:InChI=1S/C23H23O2P.BrH/c24-23(25)18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2;1H
InChIKey: MLOSJPZSZWUDSK-UHFFFAOYSA-N
Smiles:[P+](CCCCC(=O)O)(C1C=CC=CC=1)(C1=CC=CC=C1)C1C=CC=CC=1.[Br-]
-
Mass
MS-IW-0674
(4-carboxybutyl)triphenylphosphonium bromide
C23H24BrO2P (Mass of molecular ion: 442)
Source Temperature: 210 °C
Sample Temperature: 210 °C
Direct, 75 eV
18.0 4.1
27.0 1.1
28.0 2.3
39.0 2.2
41.0 1.8
42.0 1.1
50.0 1.1
51.0 3.6
52.0 1.4
55.0 4.3
56.0 1.5
57.0 1.2
65.0 1.1
77.0 3.3
78.0 1.1
79.0 2.7
80.0 9.1
81.0 2.9
82.0 8.8
83.0 1.5
84.0 2.9
91.0 1.5
107.0 9.6
108.0 30.8
109.0 3.3
115.0 2.4
128.0 1.2
131.0 1.4
133.0 3.6
139.0 1.0
141.0 1.0
152.0 8.3
153.0 2.1
154.0 1.7
157.0 3.2
165.0 1.4
170.0 1.9
178.0 1.4
181.0 1.0
183.0 61.8
184.0 17.8
185.0 11.6
186.0 2.1
199.0 3.9
201.0 3.0
209.0 1.1
219.0 1.0
259.0 1.0
260.0 1.6
261.0 20.4
262.0 100.0
263.0 19.8
264.0 1.9
267.0 3.1
277.0 17.8
278.0 6.9
279.0 1.1
287.0 16.4
288.0 4.1
289.0 1.0
313.0 1.1
315.0 3.4
316.0 1.5
342.0 1.1
343.0 40.4
344.0 31.9
345.0 6.9
400 MHz in CDCl3
400 MHz in DMSO-d6
-
| 1H NMR |
399.65 MHz |
| C23 H24 Br O2 P
|
0.013 g : 0.5 ml CDCl3
|
| (4-carboxybutyl)triphenylphosphonium bromide
|
 |
Assign. Shift(ppm)
A 7.81
B 7.79
C 7.72
D 3.645
E 2.640
F 1.944
G 1.73
|
Hz ppm Int.
3146.00 7.872 31
3145.63 7.871 35
3140.75 7.859 31
3140.50 7.859 31
3139.77 7.857 33
3138.31 7.853 50
3137.21 7.850 55
3136.23 7.848 48
3133.79 7.842 61
3132.81 7.839 70
3132.45 7.838 69
3131.47 7.836 74
3129.64 7.831 129
3128.30 7.828 230
3126.95 7.825 296
3126.22 7.823 344
3124.02 7.817 665
3122.44 7.813 500
3121.22 7.810 631
3119.02 7.805 794
3116.94 7.800 905
3115.84 7.797 1000
3114.14 7.793 727
3112.79 7.789 680
3111.45 7.786 876
3106.45 7.773 274
3104.25 7.768 918
3102.78 7.764 748
3092.41 7.738 664
3088.87 7.729 761
3086.06 7.722 591
3085.21 7.720 687
3082.40 7.713 638
3081.54 7.711 730
3080.69 7.709 680
3077.51 7.701 370
3076.54 7.699 289
3075.56 7.696 225
3073.97 7.692 298
3073.00 7.690 234
3069.34 7.681 46
3068.73 7.679 40
1471.31 3.682 107
1469.48 3.677 67
1468.51 3.675 68
1468.14 3.674 67
1465.94 3.669 76
1462.77 3.661 111
1458.13 3.649 158
1455.08 3.641 167
1449.83 3.628 106
1448.12 3.624 77
1447.27 3.622 76
1447.02 3.621 76
1445.19 3.617 60
1444.70 3.615 61
1444.46 3.615 61
1441.77 3.608 106
1066.89 2.670 31
1062.13 2.658 188
1059.20 2.651 95
1055.30 2.641 394
1048.34 2.624 199
792.11 1.983 31
789.67 1.976 60
788.33 1.973 50
787.96 1.972 47
787.60 1.971 46
787.23 1.970 47
786.62 1.969 50
782.96 1.960 176
776.00 1.942 261
769.17 1.925 183
764.40 1.913 41
762.94 1.910 53
762.21 1.908 57
709.35 1.775 42
708.98 1.775 41
708.01 1.772 38
707.40 1.771 37
706.67 1.769 37
706.30 1.768 40
701.29 1.755 104
701.05 1.755 104
699.34 1.750 89
697.27 1.745 98
694.09 1.737 156
693.60 1.736 157
690.31 1.728 115
689.33 1.725 117
689.09 1.725 117
688.35 1.723 117
685.91 1.717 146
683.35 1.710 101
682.50 1.708 86
680.91 1.704 70
680.05 1.702 70
679.81 1.702 70
678.10 1.697 84
-
| 1H NMR |
399.65 MHz |
| C23 H24 Br O2 P
|
0.032 g : 0.5 ml DMSO-d6
|
| (4-carboxybutyl)triphenylphosphonium bromide
|
|
Assign. Shift(ppm)
A 12.1
B 7.91
C 7.83
D 7.79
E 3.668
F 2.302
G 1.713
J 1.576
|
Hz ppm Int.
3171.34 7.936 120
3169.33 7.931 122
3167.32 7.926 94
3164.20 7.918 287
3162.37 7.913 308
3157.06 7.900 217
3155.41 7.896 227
3153.76 7.892 114
3138.74 7.854 286
3131.60 7.836 553
3130.32 7.833 481
3126.47 7.824 237
3119.69 7.807 1000
3117.86 7.802 689
3116.03 7.797 617
3112.73 7.789 481
3109.07 7.780 459
3104.86 7.769 196
3101.01 7.760 134
1479.99 3.704 56
1477.24 3.697 37
1476.87 3.696 37
1472.11 3.684 59
1471.74 3.683 59
1470.46 3.680 58
1469.18 3.677 61
1468.81 3.676 61
1465.88 3.668 94
1465.52 3.668 94
1464.42 3.665 98
1460.75 3.656 59
1459.65 3.653 60
1458.55 3.650 61
1458.19 3.649 60
1450.31 3.629 60
927.37 2.321 136
920.23 2.303 300
913.08 2.285 156
692.55 1.733 93
685.41 1.716 142
678.08 1.697 115
670.57 1.678 43
641.63 1.606 63
639.43 1.600 56
638.52 1.598 55
634.31 1.588 89
633.94 1.587 89
626.61 1.568 84
621.85 1.556 46
621.12 1.555 46
620.38 1.553 46
619.65 1.551 46