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Cyclohexanecarboxylic acid, 2-ethenyl-1-[(4-methylphenyl)sulfonyl]-, methyl ester
SpectraBase Compound ID 7VhKOSr6A1K
InChI InChI=1S/C17H22O4S/c1-4-14-7-5-6-12-17(14,16(18)21-3)22(19,20)15-10-8-13(2)9-11-15/h4,8-11,14H,1,5-7,12H2,2-3H3
InChIKey RXTBJEWPYKSLGG-UHFFFAOYSA-N
Mol Weight 322.42 g/mol
Molecular Formula C17H22O4S
Exact Mass 322.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZdhZgeDOuE
Name Cyclohexanecarboxylic acid, 2-ethenyl-1-[(4-methylphenyl)sulfonyl]-, methyl ester
Alternate Name(s) 1-(p-tolylsulfonyl)-2-ethenylcyclohexanecarboxylic acid methyl ester Methyl 1-[(4-methylphenyl)sulfonyl]-2-vinylcyclohexanecarboxylate
CAS Registry Number 113558-63-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O4S
InChI InChI=1S/C17H22O4S/c1-4-14-7-5-6-12-17(14,16(18)21-3)22(19,20)15-10-8-13(2)9-11-15/h4,8-11,14H,1,5-7,12H2,2-3H3
InChIKey RXTBJEWPYKSLGG-UHFFFAOYSA-N
Molecular Weight 322.419 g/mol
SMILES C1(S(c2ccc(cc2)C)(=O)=O)(C(=O)OC)C(C=C)CCCC1
SPLASH splash10-014i-0900000000-e850bb27f70d5dc4b5de
Source of Spectrum AJ-60-3432-14
Wiley ID 1321582