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Benzoic acid, 2-methoxy-4-[S-methyl-N-[(4-methylphenyl)sulfonyl]sulfinimidoyl]-, (.+-.)-
SpectraBase Compound ID BpGBaq7MIzH
InChI InChI=1S/C16H17NO5S2/c1-11-4-7-13(8-5-11)24(20,21)17-23(3)12-6-9-14(16(18)19)15(10-12)22-2/h4-10H,1-3H3,(H,18,19)
InChIKey LOKJINQKXLFRQT-UHFFFAOYSA-N
Mol Weight 367.43 g/mol
Molecular Formula C16H17NO5S2
Exact Mass 367.054815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EhVDQZ3Vsqs
Name Benzoic acid, 2-methoxy-4-[S-methyl-N-[(4-methylphenyl)sulfonyl]sulfinimidoyl]-, (.+-.)-
Alternate Name(s) 2-Methoxy-4-(s-methyl-N-[(4-methylbenzyl)-sulfonyl]-sulfiminyl-benzoic acid 2-Methoxy-4-{(E)-methyl[(4-methylphenyl)sulfonyl]sulfinimidoyl}benzoic acid
CAS Registry Number 114916-66-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO5S2
InChI InChI=1S/C16H17NO5S2/c1-11-4-7-13(8-5-11)24(20,21)17-23(3)12-6-9-14(16(18)19)15(10-12)22-2/h4-10H,1-3H3,(H,18,19)
InChIKey LOKJINQKXLFRQT-UHFFFAOYSA-N
Molecular Weight 367.434 g/mol
SMILES OC(c1ccc(cc1OC)S(=NS(c1ccc(cc1)C)(=O)=O)C)=O
SPLASH splash10-0007-5920000000-19c934fb950dfc5d751f
Source of Spectrum F-43-4545-3
Wiley ID 1352436