3,5-DINITROBENZYL CHLORIDE(74367-78-5) 13C NMR
Molecular FormulaC7H5ClN2O4
Molecular Weight216.58
InChIInChI=1S/C7H5ClN2O4/c8-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3H,4H2
InChIKey SMJODKZAFKWUJG-UHFFFAOYSA-N
SmilesC1(CCl)=CC([N+]([O-])=O)=CC([N+]([O-])=O)=C1
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Mass
MS-NW-7259
3,5-dinitrobenzyl chloride
C7H5ClN2O4 (Mass of molecular ion: 216)
Source Temperature: 140 °C
Sample Temperature: 120 °C
Direct, 75 eV
28.0 2.1
30.0 24.5
37.0 1.5
38.0 3.2
39.0 12.3
46.0 1.0
49.0 1.7
50.0 4.8
51.0 7.7
52.0 1.6
61.0 2.4
62.0 10.5
63.0 26.9
64.0 2.5
65.0 1.5
73.0 4.5
74.0 2.6
75.0 10.0
76.0 2.4
77.0 8.3
78.0 1.1
85.0 1.7
86.0 3.1
87.0 4.6
88.0 4.2
89.0 32.0
90.0 2.8
97.0 1.2
105.0 11.2
106.0 1.1
112.0 1.3
123.0 27.0
124.0 17.3
125.0 10.2
126.0 6.0
134.0 1.0
135.0 6.5
140.0 6.4
142.0 2.2
169.0 2.5
170.0 12.6
171.0 1.8
172.0 4.2
181.0 100.0
182.0 8.8
183.0 1.2
199.0 4.4
200.0 1.2
201.0 1.6
216.0 47.1
217.0 4.3
218.0 16.1
219.0 1.4