Product Name5-NITROBENZOTRIAZOLE
CAS2338-12-7
Molecular FormulaC6H4N4O2
Molecular Weight164.12
InChIInChI=1S/C6H4N4O2/c11-10(12)4-1-2-5-6(3-4)8-9-7-5/h1-3H,(H,7,8,9)
InChIKey AOCDQWRMYHJTMY-UHFFFAOYSA-N
SmilesN1C2=CC([N+]([O-])=O)=CC=C2N=N1

Mass
MS-NW-1797 5-nitrobenzotriazole C6H4N4O2 (Mass of molecular ion: 164)
Source Temperature: 200 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 3.8
26.0 2.1
27.0 1.6
28.0 6.6
29.0 2.9
30.0 7.3
37.0 9.9
38.0 12.7
39.0 13.5
40.0 2.7
44.0 1.3
46.0 1.1
49.0 1.8
50.0 6.4
51.0 19.8
52.0 20.9
53.0 3.5
60.0 1.3
61.0 11.7
62.0 29.1
63.0 100.0
64.0 17.4
65.0 1.6
75.0 1.8
76.0 2.5
77.0 2.2
78.0 8.5
79.0 24.7
80.0 3.2
87.0 2.6
88.0 4.5
89.0 4.3
90.0 25.7
91.0 5.7
93.0 2.1
106.0 30.0
107.0 2.2
118.0 3.1
119.0 1.4
134.0 7.6
136.0 9.5
164.0 71.3
165.0 5.9
KBr disc

nujol mull

5-NITROBENZOTRIAZOLE(2338-12-7) IR2 Atlas of Related Products
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