4-Nitrophenol(100-02-7) ESR
Product Name4-Nitrophenol
CAS100-02-7
Molecular FormulaC6H5NO3
Molecular Weight139.11
InChIInChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
InChIKey BTJIUGUIPKRLHP-UHFFFAOYSA-N
SmilesC1(O)=CC=C([N+]([O-])=O)C=C1
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MassMS-NW-1737 p-nitrophenol C6H5NO3 (Mass of molecular ion: 139)
Source Temperature: 240 °C Sample Temperature: 180 °C Direct, 75 eV
18.0 1.6 26.0 3.4 27.0 7.0 28.0 4.8 29.0 2.7 30.0 8.9 37.0 5.3 38.0 13.1 39.0 64.6 40.0 2.4 42.0 1.2 43.0 1.0 46.0 1.1 49.0 1.6 50.0 8.5 51.0 7.6 52.0 5.5 53.0 14.1 54.0 2.1 55.0 3.0 60.0 1.1 61.0 5.8 62.0 11.6 63.0 24.2 64.0 10.7 65.0 100.0 66.0 6.3 67.0 1.4 73.0 1.1 74.0 4.4 75.0 3.4 79.0 1.0 81.0 28.7 82.0 1.8 92.0 2.5 93.0 23.4 94.0 1.6 107.0 1.1 109.0 58.1 110.0 4.0 123.0 4.6 139.0 80.4 140.0 5.8
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H5 N O3 saturated in DMSO-d6 p-nitrophenol 
Assign. Shift(ppm)
A 11.1 B 8.139 C 6.959
Hz ppm Int.4422.37 11.066 22 3260.91 8.160 98 3257.43 8.151 926 3255.24 8.146 306 3253.04 8.140 48 3250.47 8.134 292 3248.27 8.128 977 3244.79 8.120 101 2789.44 6.980 106 2786.15 6.972 980 2783.95 6.966 293 2781.38 6.960 44 2779.00 6.954 294 2776.80 6.949 1000 2773.32 6.940 94
DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
ANION RADICAL, ELECTROLYTIC GENERATION
