Product Name4-Nitrobenzyl alcohol
CAS619-73-8
Molecular FormulaC7H7NO3
Molecular Weight153.14
InChIInChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2
InChIKey JKTYGPATCNUWKN-UHFFFAOYSA-N
SmilesC1(CO)=CC=C([N+]([O-])=O)C=C1

Mass
MS-NW-1714 4-nitrobenzyl alcohol C7H7NO3 (Mass of molecular ion: 153)
Source Temperature: 150 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 2.9
26.0 1.4
27.0 9.2
28.0 4.9
29.0 8.3
30.0 8.6
31.0 10.7
37.0 2.4
38.0 5.1
39.0 17.9
40.0 2.2
41.0 7.8
43.0 1.0
46.0 1.6
49.0 1.4
50.0 21.1
51.0 38.5
52.0 10.0
53.0 10.0
55.0 3.1
61.0 2.0
62.0 5.2
63.0 14.5
64.0 3.9
65.0 4.7
66.0 4.2
67.0 4.3
69.0 1.3
73.0 1.7
74.0 7.7
75.0 6.3
76.0 8.4
77.0 100.0
78.0 36.3
79.0 26.5
80.0 1.9
86.0 1.0
87.0 1.1
89.0 43.1
90.0 5.5
91.0 1.6
92.0 1.7
94.0 6.6
95.0 2.0
104.0 1.6
105.0 11.3
106.0 23.3
107.0 47.6
108.0 17.9
109.0 1.3
122.0 1.7
124.0 6.6
125.0 2.0
136.0 15.7
137.0 3.3
150.0 1.3
152.0 5.1
153.0 44.7
154.0 3.7
90 MHz in CDCl3

| 1H NMR | 89.56 MHz |
| C7 H7 N O3 | 0.040 g : 0.5 ml CDCl3 |
| 4-nitrobenzyl alcohol | |
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Assign. Shift(ppm) |
Hz ppm Int.
739.63 8.259 90
737.38 8.234 756
735.31 8.211 274
732.25 8.177 43
730.56 8.158 273
728.44 8.134 1000
726.19 8.109 177
723.88 8.083 39
680.44 7.598 61
679.69 7.590 116
678.19 7.573 435
677.50 7.565 871
676.75 7.557 615
675.38 7.542 270
674.63 7.533 157
671.38 7.497 123
670.56 7.488 213
669.25 7.473 479
668.50 7.465 661
667.75 7.456 338
666.25 7.440 102
665.50 7.431 65
433.25 4.838 391
430.00 4.802 421
424.56 4.741 42
215.56 2.407 421
in CDCl3

KBr disc

nujol mull


4-Nitrobenzyl alcohol(619-73-8) IR1 Atlas of Related Products
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