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Benzoic acid, 2-amino-3,5-bis(methylsulfonyl)-
SpectraBase Compound ID BGvZ4J4HOe0
InChI InChI=1S/C9H11NO6S2/c1-17(13,14)5-3-6(9(11)12)8(10)7(4-5)18(2,15)16/h3-4H,10H2,1-2H3,(H,11,12)
InChIKey ASFLYMMZUQEGRF-UHFFFAOYSA-N
Mol Weight 293.31 g/mol
Molecular Formula C9H11NO6S2
Exact Mass 293.002779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dCZ9uXwpHy
Name Benzoic acid, 2-amino-3,5-bis(methylsulfonyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO6S2
InChI InChI=1S/C9H11NO6S2/c1-17(13,14)5-3-6(9(11)12)8(10)7(4-5)18(2,15)16/h3-4H,10H2,1-2H3,(H,11,12)
InChIKey ASFLYMMZUQEGRF-UHFFFAOYSA-N
Molecular Weight 293.308 g/mol
SMILES OC(c1c(c(cc(c1)S(C)(=O)=O)S(C)(=O)=O)N)=O
SPLASH splash10-0006-1490000000-04e1e2fbe4a781a169ab
Source of Spectrum JX-2015-2-1369
Synonyms 2-Amino-3,5-bis(methylsulfonyl)benzoic acid 2-Azanyl-3,5-bis(methylsulfonyl)benzoic acid
Wiley ID 1723014