Product NameN-ETHOXYCARBONYL-5-NITRO-O-TOLUIDINE
CAS16648-52-5
Molecular FormulaC10H12N2O4
Molecular Weight224.21
InChIInChI=1S/C10H12N2O4/c1-3-16-10(13)11-9-6-8(12(14)15)5-4-7(9)2/h4-6H,3H2,1-2H3,(H,11,13)
InChIKey AYJFWTBDUMVOBQ-UHFFFAOYSA-N
SmilesC(OCC)(=O)NC1=CC([N+]([O-])=O)=CC=C1C

Mass
MS-NW-1935 ethyl 2-methyl-5-nitrocarbanilate C10H12N2O4 (Mass of molecular ion: 224)
Source Temperature: 190 °C Sample Temperature: 140 °C Direct, 75 eV
14.0 1.0
15.0 2.5
18.0 3.4
19.0 1.4
26.0 3.7
27.0 15.8
28.0 4.6
29.0 27.7
30.0 7.4
31.0 38.9
37.0 2.4
38.0 4.2
39.0 11.1
40.0 1.3
41.0 1.0
42.0 1.4
43.0 4.0
44.0 2.1
45.0 20.0
46.0 9.2
50.0 9.6
51.0 24.0
52.0 8.7
53.0 3.0
54.0 1.2
61.0 1.5
62.0 3.3
63.0 7.9
64.0 4.4
65.0 7.7
66.0 1.7
74.0 1.9
75.0 4.1
76.0 9.2
77.0 65.4
78.0 18.6
79.0 6.4
88.0 1.0
89.0 3.5
90.0 1.7
91.0 1.8
92.0 9.7
93.0 3.4
94.0 2.7
102.0 5.1
103.0 4.5
104.0 57.6
105.0 25.7
106.0 13.3
107.0 1.8
118.0 1.0
119.0 4.4
120.0 6.7
122.0 3.1
131.0 1.9
132.0 26.7
133.0 3.5
135.0 14.6
136.0 1.5
148.0 3.5
149.0 2.7
150.0 4.3
151.0 1.0
152.0 9.8
161.0 1.9
162.0 1.8
165.0 11.6
166.0 1.1
177.0 1.3
178.0 100.0
179.0 17.6
180.0 1.9
207.0 27.0
208.0 3.7
224.0 21.5
225.0 2.6
KBr disc

4880 A,200 M,powder

N-ETHOXYCARBONYL-5-NITRO-O-TOLUIDINE(16648-52-5) Raman Atlas of Related Products
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