4-Nitrobenzeneethanol(100-27-6) IR1
Product Name4-Nitrobenzeneethanol
CAS100-27-6
Molecular FormulaC8H9NO3
Molecular Weight167.16
InChIInChI=1S/C8H9NO3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10H,5-6H2
InChIKey IKMXRUOZUUKSON-UHFFFAOYSA-N
SmilesC1(CCO)=CC=C([N+]([O-])=O)C=C1
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MassMS-IW-0702 4-nitrophenethyl alcohol C8H9NO3 (Mass of molecular ion: 167)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 1.5 28.0 1.4 30.0 4.4 31.0 13.0 39.0 3.3 41.0 1.0 50.0 1.5 51.0 3.4 52.0 1.0 63.0 3.5 64.0 1.4 65.0 6.3 77.0 11.7 78.0 6.2 79.0 2.1 89.0 10.3 90.0 27.0 91.0 21.0 92.0 2.1 102.0 1.1 103.0 2.1 106.0 4.5 107.0 13.3 108.0 1.1 120.0 11.9 121.0 3.2 136.0 2.4 137.0 100.0 138.0 8.2 151.0 1.0 167.0 39.9 168.0 4.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H9 N O3 0.038 g : 0.5 ml CDCl3 4-nitrophenethyl alcohol 
Assign. Shift(ppm)
A 8.144 B 7.406 C 3.914 D 2.972 E 2.00
Hz ppm Int.3261.84 8.162 134 3259.40 8.156 971 3257.45 8.151 312 3252.69 8.139 340 3250.73 8.134 1000 3248.29 8.128 140 2966.67 7.424 130 2964.23 7.418 872 2962.28 7.413 271 2957.40 7.400 290 2955.44 7.396 789 2953.00 7.389 111 1573.24 3.937 150 1566.89 3.921 338 1562.01 3.909 347 1555.79 3.893 167 1194.09 2.988 516 1187.62 2.972 971 1181.15 2.956 488 798.10 1.997 115 793.33 1.986 296 788.57 1.974 118
in CDCl3
KBr disc
nujol mull
