Product Name4-Hydroxybenzyl cyanide
CAS14191-95-8
Molecular FormulaC8H7NO
Molecular Weight133.15
InChIInChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2
InChIKey AYKYOOPFBCOXSL-UHFFFAOYSA-N
SmilesC1(CC#N)=CC=C(O)C=C1
Mass
MS-NW-8839 (p-hydroxyphenyl)acetonitrile C8H7NO (Mass of molecular ion: 133)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 2.0 26.0 1.1 27.0 3.9 28.0 1.2 29.0 1.0 38.0 2.6 39.0 9.2 41.0 1.0 50.0 6.1 51.0 14.6 51.5 1.4 52.0 6.2 53.0 4.4 55.0 2.1 57.0 1.3 62.0 2.5 63.0 5.4 64.0 2.4 65.0 3.8 66.0 1.4 66.5 1.7 67.0 1.0 74.0 1.3 75.0 2.6 76.0 5.2 77.0 27.8 78.0 42.2 79.0 4.8 88.0 1.0 89.0 1.7 90.0 9.3 91.0 1.1 102.0 2.0 103.0 1.6 104.0 19.6 105.0 24.8 106.0 40.8 107.0 10.1 115.0 3.8 116.0 2.3 132.0 45.5 133.0 100.0 134.0 9.0
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C8 H7 N O | 0.035 g : 0.5 ml CDCl3 |
(p-hydroxyphenyl)acetonitrile |
Assign. Shift(ppm) |
Hz ppm Int.
2861.82 7.161 49 2861.21 7.160 44 2858.89 7.154 430 2856.69 7.148 149 2852.29 7.137 158 2850.10 7.132 487 2847.78 7.126 57 2847.17 7.125 64 2738.40 6.852 72 2735.47 6.845 608 2733.28 6.840 192 2728.88 6.829 178 2726.68 6.823 523 2723.75 6.816 62 2478.76 6.203 224 1466.31 3.669 1000
in CDCl3
KBr disc
nujol mull
4-Hydroxybenzyl cyanide(14191-95-8) Raman Atlas of Related Products
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