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2-Methylsulfonyl-4-nitroaniline

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

2-Methylsulfonyl-4-nitroaniline
SpectraBase Compound ID EdEkji5s3X1
InChI InChI=1S/C7H8N2O4S/c1-14(12,13)7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3
InChIKey KIMXIMWZIRTKCQ-UHFFFAOYSA-N
Mol Weight 216.21 g/mol
Molecular Formula C7H8N2O4S
Exact Mass 216.020478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AQmXlulqbfs
Name Benzenamine, 2-(methylsulfonyl)-4-nitro-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8N2O4S
InChI InChI=1S/C7H8N2O4S/c1-14(12,13)7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3
InChIKey KIMXIMWZIRTKCQ-UHFFFAOYSA-N
Molecular Weight 216.211 g/mol
SMILES Nc1c(S(C)(=O)=O)cc(cc1)[N+]([O-])=O
SPLASH splash10-014i-7690000000-4987975a2213cfaefe8f
Source of Spectrum JX-2015-0-257
Synonyms 2-(methylsulfonyl)-4-nitroaniline 2-Methylsulfonyl-4-nitroaniline 2-Methylsulfonyl-4-nitro-aniline
Wiley ID 1720218