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Benzoic acid, 2-methoxy-4-[S-methyl-N-[(4-methylphenyl)sulfonyl]sulfonimidoyl]-, methyl ester
SpectraBase Compound ID HBoOh4x77Pg
InChI InChI=1S/C17H19NO6S2/c1-12-5-7-13(8-6-12)26(21,22)18-25(4,20)14-9-10-15(17(19)24-3)16(11-14)23-2/h5-11H,1-4H3
InChIKey KKILQLOHTGJCQQ-UHFFFAOYSA-N
Mol Weight 397.46 g/mol
Molecular Formula C17H19NO6S2
Exact Mass 397.06538 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQh5watbwD6
Name Benzoic acid, 2-methoxy-4-[S-methyl-N-[(4-methylphenyl)sulfonyl]sulfonimidoyl]-, methyl ester
CAS Registry Number 114916-61-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO6S2
InChI InChI=1S/C17H19NO6S2/c1-12-5-7-13(8-6-12)26(21,22)18-25(4,20)14-9-10-15(17(19)24-3)16(11-14)23-2/h5-11H,1-4H3
InChIKey KKILQLOHTGJCQQ-UHFFFAOYSA-N
Molecular Weight 397.460 g/mol
SMILES c1(S(N=S(c2cc(OC)c(cc2)C(=O)OC)(=O)C)(=O)=O)ccc(cc1)C
SPLASH splash10-001u-3914000000-c0cb58c7a177fe4142fa
Source of Spectrum F-43-4544-4
Synonyms 2-Methoxy-4-(S-methyl-N-[(4-methylphenyl)-sulfonyl]-sulfonimidoyl)-benzoic acid methyl ester 2-Methyl-4-(s-methyl-N-[(4-methylphenyl)-sulfonyl]-sulfonimidoyl)-benzoic acid methyl ester Methyl 2-methoxy-4-{methyl[(4-methylphenyl)sulfonyl]sulfonimidoyl}benzoate
Wiley ID 1367865