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Methyl 2-(4-tolylsulfonyl)-2-(2-methylenecyclohexyl)acetate
SpectraBase Compound ID LiJcAChXA4q
InChI InChI=1S/C17H22O4S/c1-12-8-10-14(11-9-12)22(19,20)16(17(18)21-3)15-7-5-4-6-13(15)2/h8-11,15-16H,2,4-7H2,1,3H3
InChIKey CGVHTHJRSKHCST-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 Dzwj6HyIoxm
Name Methyl 2-(4-tolylsulfonyl)-2-(2-methylenecyclohexyl)acetate
Alternate Name(s) Methyl (2-methylenecyclohexyl)[(4-methylphenyl)sulfonyl]acetate
CAS Registry Number 113558-55-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O4S
InChI InChI=1S/C17H22O4S/c1-12-8-10-14(11-9-12)22(19,20)16(17(18)21-3)15-7-5-4-6-13(15)2/h8-11,15-16H,2,4-7H2,1,3H3
InChIKey CGVHTHJRSKHCST-UHFFFAOYSA-N
Molecular Weight 322.419 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C1C(=C)CCCC1)C(=O)OC
SPLASH splash10-014l-3900000000-97b7ed40a9a4851f3b21
Source of Spectrum AJ-60-3432-6
Wiley ID 1321581