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Benzoic acid, 2-methoxy-4-[S-methyl-N-[(4-methylphenyl)sulfonyl]sulfinimidoyl]-, methyl ester, (.+-.)-
SpectraBase Compound ID JDdLFHXaN64
InChI InChI=1S/C17H19NO5S2/c1-12-5-8-14(9-6-12)25(20,21)18-24(4)13-7-10-15(17(19)23-3)16(11-13)22-2/h5-11H,1-4H3
InChIKey VVNCGDZEMAJVJU-UHFFFAOYSA-N
Mol Weight 381.46 g/mol
Molecular Formula C17H19NO5S2
Exact Mass 381.070465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LbYtSJhI8xp
Name Benzoic acid, 2-methoxy-4-[S-methyl-N-[(4-methylphenyl)sulfonyl]sulfinimidoyl]-, methyl ester, (.+-.)-
Alternate Name(s) 2-Methoxy-4-(s-methyl-n[(4-methylphenyl)-sulfonyl]-sulfiminyl)-benzoic acid methyl ester Methyl 2-methoxy-4-{(E)-methyl[(4-methylphenyl)sulfonyl]sulfinimidoyl}benzoate
CAS Registry Number 114916-72-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO5S2
InChI InChI=1S/C17H19NO5S2/c1-12-5-8-14(9-6-12)25(20,21)18-24(4)13-7-10-15(17(19)23-3)16(11-13)22-2/h5-11H,1-4H3
InChIKey VVNCGDZEMAJVJU-UHFFFAOYSA-N
Molecular Weight 381.461 g/mol
SMILES c1(S(=NS(c2ccc(cc2)C)(=O)=O)C)cc(OC)c(cc1)C(=O)OC
SPLASH splash10-0udi-4490000000-51169a97c9b5e4b2cff3
Source of Spectrum F-43-4543-3
Wiley ID 1360096