α-萘黃酮(604-59-1)紅外圖譜(IR1)
InChI:InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
InChIKey: VFMMPHCGEFXGIP-UHFFFAOYSA-N
Smiles:C12=C3C(C=CC=C3)=CC=C1C(=O)C=C(C1=CC=CC=C1)O2
400 MHz in CDCl3
90 MHz in CDCl3
-
| 1H NMR |
399.65 MHz |
| C19 H12 O2
|
0.049 g : 0.5 ml CDCl3
|
| alpha-naphthoflavone
|
 |
Assign. Shift(ppm)
A 8.437
B 8.077
C 7.92
D 7.821
E 7.660
F 7.612
G 7.52
J 7.51
K 6.860
J(B,E)=8.8HZ.
G AND J WERE CONFIRMED BY LAOCN PROGRAM.
90MHZ. : HSP-03-456
|
Hz ppm Int.
3376.71 8.450 124
3375.98 8.448 83
3375.00 8.445 72
3374.02 8.443 71
3371.58 8.437 109
3370.48 8.434 98
3369.63 8.432 75
3367.80 8.427 82
3367.07 8.426 129
3366.33 8.424 77
3232.67 8.089 381
3223.88 8.067 418
3174.19 7.943 31
3173.58 7.941 32
3172.49 7.939 44
3171.02 7.935 62
3168.46 7.929 278
3166.99 7.925 172
3165.77 7.922 238
3164.92 7.920 107
3164.06 7.918 200
3162.48 7.914 248
3161.01 7.910 141
3160.03 7.907 157
3158.81 7.904 274
3157.71 7.902 86
3130.49 7.834 120
3127.81 7.827 96
3126.10 7.823 120
3123.29 7.816 91
3121.22 7.810 140
3065.55 7.671 242
3060.18 7.658 32
3057.13 7.650 227
3054.20 7.643 35
3053.59 7.641 39
3051.15 7.635 88
3049.32 7.630 63
3046.75 7.624 315
3046.26 7.623 287
3044.19 7.618 236
3042.36 7.613 225
3041.14 7.610 230
3039.06 7.605 192
3037.11 7.600 272
3036.74 7.599 254
3034.30 7.593 32
3032.10 7.587 50
3017.46 7.551 31
3016.72 7.549 33
3015.38 7.546 37
3013.92 7.542 45
3011.35 7.535 108
3008.54 7.528 245
3007.45 7.526 630
3005.98 7.522 283
3005.25 7.520 309
3004.52 7.518 488
3002.93 7.514 221
3002.08 7.512 227
3000.85 7.509 394
2999.02 7.505 75
2998.17 7.502 104
2996.95 7.499 33
2996.58 7.499 32
2741.82 6.861 1000
-
| 1H NMR |
89.56 MHz |
| C19 H12 O2
|
0.046 g : 0.5 ml CDCl3
|
| alpha-naphthoflavone
|
|
Assign. Shift(ppm)
A 8.473
B 8.094
C 7.98 to 7.89
D 7.82
E 7.68
F 7.61
G 7.56 to 7.48
J 6.882
400MHZ. : HSP-40-396
|
Hz ppm Int.
765.00 8.542 65
764.25 8.534 108
763.56 8.526 66
760.81 8.495 94
758.75 8.472 66
758.06 8.465 98
757.13 8.454 64
754.63 8.426 138
753.88 8.418 80
730.38 8.156 314
721.63 8.058 500
718.56 8.024 31
716.50 8.001 191
715.00 7.984 115
714.19 7.975 112
713.38 7.966 173
712.25 7.953 161
710.81 7.937 175
709.69 7.925 225
709.06 7.918 192
708.06 7.906 208
706.63 7.891 310
705.69 7.880 144
705.00 7.872 158
702.63 7.846 128
701.69 7.835 104
699.06 7.806 178
695.50 7.766 65
692.44 7.732 275
691.94 7.726 285
687.75 7.680 479
684.38 7.642 426
681.44 7.609 343
678.06 7.572 432
677.31 7.563 551
675.88 7.547 232
674.00 7.526 464
672.81 7.513 236
672.06 7.505 172
670.63 7.489 452
669.56 7.477 96
668.44 7.464 85
666.63 7.444 44
616.38 6.883 1000