Product Name4-Methyl-3-nitrobenzyl chloride
CAS84540-59-0
Molecular FormulaC8H8ClNO2
Molecular Weight185.61
InChI
InChIKey
Smiles

Mass
MS-NW-7904 4-methyl-3-nitrobenzyl chloride C8H8ClNO2 (Mass of molecular ion: 185)
Source Temperature: 140 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 1.6
26.0 1.1
27.0 6.8
28.0 2.7
30.0 2.9
37.0 1.0
38.0 2.9
39.0 12.5
40.0 1.1
41.0 1.5
49.0 1.3
50.0 9.4
51.0 23.2
52.0 6.4
53.0 4.5
61.0 1.5
62.0 4.1
63.0 11.4
64.0 2.2
65.0 6.5
66.0 1.3
66.5 1.6
67.0 1.0
68.0 1.8
73.0 2.1
74.0 3.1
75.0 6.8
76.0 4.2
77.0 75.7
78.0 23.3
79.0 2.6
86.0 1.0
87.0 1.5
89.0 4.5
90.0 1.5
91.0 13.1
92.0 4.8
99.0 1.3
101.0 3.1
102.0 9.9
103.0 53.8
104.0 47.3
105.0 12.2
106.0 3.0
113.0 11.3
114.0 1.1
115.0 3.5
120.0 3.6
121.0 1.5
132.0 15.7
133.0 9.4
134.0 1.1
138.0 1.9
139.0 6.6
140.0 6.1
141.0 2.6
142.0 1.7
150.0 15.9
151.0 1.4
168.0 100.0
169.0 9.7
170.0 36.3
171.0 3.2
185.0 27.5
186.0 2.8
187.0 8.6
188.0 1.0
90 MHz in CDCl3

| 1H NMR | 89.56 MHz |
| C8 H8 Cl N O2 | saturated in CDCl3 |
| 4-methyl-3-nitrobenzyl chloride | |
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Assign. Shift(ppm) |
Hz ppm Int.
717.13 8.008 184
715.25 7.987 182
680.44 7.598 71
678.50 7.576 61
672.56 7.510 159
670.63 7.489 144
661.31 7.384 205
653.31 7.295 88
412.44 4.606 694
232.44 2.596 1000
in CDCl3

KBr disc

nujol mull

4880 A,200 M,powder

4-Methyl-3-nitrobenzyl chloride(84540-59-0) MS Atlas of Related Products
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