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2-Nitro-4-methylsulfonylbenzoic acid
SpectraBase Compound ID 3G4ak9CTT0H
InChI InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)
InChIKey QNOUABMNRMROSL-UHFFFAOYSA-N
Mol Weight 245.2 g/mol
Molecular Formula C8H7NO6S
Exact Mass 244.999408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L2jHgp0evDJ
Name 2-Nitro-4-methylsulfonylbenzoic acid
Alternate Name(s) 4-(methylsulfonyl)-2-nitrobenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO6S
InChI InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)
InChIKey QNOUABMNRMROSL-UHFFFAOYSA-N
Molecular Weight 245.205 g/mol
SMILES OC(c1c(N(=O)=O)cc(S(=O)(=O)C)cc1)=O
SPLASH splash10-01y2-6930000000-a1d2029f898ba6529ef0
Source of Spectrum RB-1982-10979-0
Wiley ID 1247728