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Benzoic acid, 2-methyl-5-[(methyloctylamino)sulfonyl]-3-nitro-
SpectraBase Compound ID DjTvoEzOo64
InChI InChI=1S/C17H26N2O6S/c1-4-5-6-7-8-9-10-18(3)26(24,25)14-11-15(17(20)21)13(2)16(12-14)19(22)23/h11-12H,4-10H2,1-3H3,(H,20,21)
InChIKey KQPUZUVLVWRYGP-UHFFFAOYSA-N
Mol Weight 386.46 g/mol
Molecular Formula C17H26N2O6S
Exact Mass 386.151158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEsajQ9NJGj
Name Benzoic acid, 2-methyl-5-[(methyloctylamino)sulfonyl]-3-nitro-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26N2O6S
InChI InChI=1S/C17H26N2O6S/c1-4-5-6-7-8-9-10-18(3)26(24,25)14-11-15(17(20)21)13(2)16(12-14)19(22)23/h11-12H,4-10H2,1-3H3,(H,20,21)
InChIKey KQPUZUVLVWRYGP-UHFFFAOYSA-N
Molecular Weight 386.463 g/mol
SMILES OC(c1cc(S(N(CCCCCCCC)C)(=O)=O)cc(c1C)[N+]([O-])=O)=O
SPLASH splash10-000i-5290000000-0094b66f81f8ca9d4b9e
Source of Spectrum JX-2015-3-1782
Synonyms 2-Methyl-5-(N-methyl-N-octylsulfamoyl)-3-nitrobenzoic acid 2-Methyl-5-[methyl(octyl)sulfamoyl]-3-nitrobenzoic acid
Wiley ID 1725253