Phenol(108-95-2) 13C NMR
Molecular FormulaC6H6O
Molecular Weight94.11
InChIInChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
InChIKey ISWSIDIOOBJBQZ-UHFFFAOYSA-N
SmilesC1(O)=CC=CC=C1
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MassMS-NW-9060 phenol C6H6O (Mass of molecular ion: 94)
Source Temperature: 260 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 1.9 37.0 2.0 38.0 4.0 39.0 13.6 40.0 8.8 47.0 3.9 50.0 3.1 51.0 3.2 53.0 2.1 55.0 6.6 61.0 1.1 62.0 1.7 63.0 3.5 64.0 1.4 65.0 16.8 66.0 22.6 67.0 1.5 74.0 1.1 93.0 1.5 94.0 100.0 95.0 6.6
in DMSO-d6
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H6 O 15.6 mg : 0.5 ml CDCl3 phenol 
Assign. Shift(ppm)
A 7.240 B 6.931 C 6.838 D 5.35
Hz ppm Int.2901.98 7.262 581 2901.00 7.259 227 2899.78 7.256 219 2896.85 7.249 144 2895.75 7.246 432 2894.53 7.243 870 2893.31 7.240 786 2890.99 7.234 153 2887.94 7.227 274 2886.72 7.224 341 2885.86 7.221 722 2777.95 6.951 196 2776.98 6.949 344 2775.88 6.946 203 2770.75 6.933 269 2769.53 6.930 588 2768.68 6.928 268 2763.18 6.915 167 2762.21 6.912 274 2761.11 6.909 156 2739.50 6.855 129 2738.65 6.853 167 2737.30 6.850 851 2736.21 6.847 1000 2735.35 6.845 472 2734.13 6.842 271 2730.71 6.833 308 2729.74 6.831 489 2728.64 6.828 893 2727.66 6.826 730 2726.56 6.823 154 2139.28 5.353 400
in DMSO-d6
in CDCl3
KBr disc
Liquid film
nujol mull
4880 A,200 M,powder
OXID. IN PRESENCE OF NITROSOBENZENE
