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4-{[(methylsulfonyl)amino]methyl}benzoic acid
SpectraBase Compound ID 8aopVpGHD2J
InChI InChI=1S/C9H11NO4S/c1-15(13,14)10-6-7-2-4-8(5-3-7)9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
InChIKey ZWNLAPYEHZIKHO-UHFFFAOYSA-N
Mol Weight 229.25 g/mol
Molecular Formula C9H11NO4S
Exact Mass 229.040879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yWek5pzlvY
Name 4-{[(methylsulfonyl)amino]methyl}benzoic acid
Alternate Name(s) 4-(methanesulfonamidomethyl)benzoic acid Benzoic acid, 4-(methanesulfonylaminomethyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO4S
InChI InChI=1S/C9H11NO4S/c1-15(13,14)10-6-7-2-4-8(5-3-7)9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
InChIKey ZWNLAPYEHZIKHO-UHFFFAOYSA-N
Molecular Weight 229.250 g/mol
SMILES N(Cc1ccc(C(O)=O)cc1)S(=O)(C)=O
SPLASH splash10-0udi-3900000000-b010b1d3e1326236b518
Source of Spectrum AD-0-2532-0
Wiley ID 1435810