2-氯苯甲酸乙烯基酯(含穩(wěn)定劑氫醌)(15721-27-4)紅外圖譜(IR1)
InChI:InChI=1S/C9H7ClO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h2-6H,1H2
InChIKey: ZJIHUSWGELHYBJ-UHFFFAOYSA-N
Smiles:C(OC=C)(=O)C1=CC=CC=C1Cl
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Mass
MS-NW-6647
vinyl o-chlorobenzoate
C9H7ClO2 (Mass of molecular ion: 182)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
15.0 1.7
27.0 1.8
43.0 1.2
50.0 6.8
51.0 3.3
74.0 3.6
75.0 16.5
76.0 4.3
85.0 2.1
111.0 29.9
112.0 2.3
113.0 10.0
139.0 100.0
140.0 7.6
141.0 31.5
142.0 2.6
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C9 H7 Cl O2
|
0.05 ml : 0.5 ml CDCl3
|
| vinyl o-chlorobenzoate
|
 |
Assign. Shift(ppm)
A 7.910
B 7.489
C 7.46
D 7.43
E 7.321
F 5.066
G 4.720
J(A,E)=2.2HZ
J(B,F)=13.9HZ
J(B,G)=6.3HZ
J(C,D)=1.6HZ
J(F,G)=-1.7HZ
90MHZ : HSP-06-118
|
Hz ppm Int.
3166.50 7.924 331
3165.77 7.922 375
3165.16 7.920 370
3164.43 7.919 356
3161.25 7.911 40
3158.20 7.903 404
3157.10 7.900 417
3153.08 7.890 30
3152.34 7.888 31
3004.27 7.518 562
2997.92 7.502 610
2994.63 7.494 42
2990.23 7.483 627
2986.08 7.472 115
2985.35 7.470 158
2984.01 7.467 729
2978.03 7.452 661
2977.29 7.450 948
2975.71 7.446 1000
2970.58 7.433 561
2968.99 7.429 532
2967.77 7.426 122
2964.60 7.418 54
2963.87 7.417 63
2962.52 7.413 204
2960.94 7.409 185
2957.15 7.400 35
2955.57 7.396 31
2940.31 7.358 40
2933.47 7.341 378
2931.27 7.335 327
2927.00 7.324 277
2925.66 7.321 382
2924.80 7.319 314
2923.58 7.316 347
2921.02 7.309 40
2919.07 7.305 252
2916.99 7.299 253
2032.59 5.086 594
2030.88 5.082 622
2018.68 5.052 595
2016.97 5.047 595
1890.63 4.731 585
1888.79 4.727 616
1884.28 4.715 602
1882.57 4.711 593
1877.20 4.698 35
1875.37 4.693 32
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| 1H NMR |
89.56 MHz |
| C9 H7 Cl O2
|
0.05 ml : 0.5 ml CDCl3
|
| vinyl o-chlorobenzoate
|
|
Assign. Shift(ppm)
A 7.910
B 7.50 to 7.26
C 7.47
D 5.069
E 4.722
J(C,D)=14.0HZ
J(C,E)=6.3HZ
J(D,E)=-1.8HZ
400MHZ : HSP-42-171
|
Hz ppm Int.
716.56 8.001 37
714.00 7.973 176
712.63 7.958 305
710.50 7.934 182
708.81 7.915 63
706.75 7.892 316
705.00 7.872 251
704.06 7.862 245
700.44 7.821 53
699.00 7.805 32
698.63 7.801 33
684.00 7.638 32
681.06 7.605 345
678.75 7.579 46
674.81 7.535 392
673.25 7.518 104
671.25 7.495 246
670.63 7.489 268
669.19 7.472 565
667.13 7.449 749
666.44 7.442 862
665.75 7.434 1000
664.00 7.415 593
662.38 7.396 509
660.94 7.380 504
659.19 7.361 210
657.56 7.343 255
655.19 7.316 284
652.69 7.288 105
651.38 7.274 256
650.00 7.258 126
648.00 7.236 40
646.25 7.216 80
461.44 5.153 399
459.69 5.133 412
447.50 4.997 344
445.81 4.978 371
426.88 4.767 403
425.13 4.747 368
420.63 4.697 400
418.88 4.678 336