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Benzenesulfonic acid, 4-chloro-, [(4-methylphenyl)sulfonyl]methyl ester
SpectraBase Compound ID JDjtnSZPKEk
InChI InChI=1S/C14H13ClO5S2/c1-11-2-6-13(7-3-11)21(16,17)10-20-22(18,19)14-8-4-12(15)5-9-14/h2-9H,10H2,1H3
InChIKey AQJIGEOSWHCVMB-UHFFFAOYSA-N
Mol Weight 360.83 g/mol
Molecular Formula C14H13ClO5S2
Exact Mass 359.989294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2Nrcz9M52m
Name Benzenesulfonic acid, 4-chloro-, [(4-methylphenyl)sulfonyl]methyl ester
CAS Registry Number 31081-11-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13ClO5S2
InChI InChI=1S/C14H13ClO5S2/c1-11-2-6-13(7-3-11)21(16,17)10-20-22(18,19)14-8-4-12(15)5-9-14/h2-9H,10H2,1H3
InChIKey AQJIGEOSWHCVMB-UHFFFAOYSA-N
Molecular Weight 360.826 g/mol
SMILES Cc1ccc(cc1)S(COS(c1ccc(cc1)Cl)(=O)=O)(=O)=O
SPLASH splash10-06vl-4900000000-2856b809b54106aafbd7
Source of Spectrum O-10-34-1
Synonyms [(4-Methylphenyl)sulfonyl]methyl 4-chlorobenzenesulfonate (4-methylphenyl)sulfonylmethyl 4-chloranylbenzenesulfonate 4-Chlorobenzenesulfonic acid (4-methylphenyl)sulfonylmethyl ester 4-Chlorobenzenesulfonic acid tosylmethyl ester p-Tolylsulfonylmethyl 4-chlorobenzenesulfonate
Wiley ID 1348005