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Benzenesulfinic acid, 4-methyl-, 4-(1,1-dimethylethyl)-1-ethynylcyclohexyl ester
SpectraBase Compound ID BZnUlohAUPI
InChI InChI=1S/C19H26O2S/c1-6-19(13-11-16(12-14-19)18(3,4)5)21-22(20)17-9-7-15(2)8-10-17/h1,7-10,16H,11-14H2,2-5H3
InChIKey HSDJEJDLOVFJQZ-UHFFFAOYSA-N
Mol Weight 318.48 g/mol
Molecular Formula C19H26O2S
Exact Mass 318.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5eFcKYaCp8z
Name Benzenesulfinic acid, 4-methyl-, 4-(1,1-dimethylethyl)-1-ethynylcyclohexyl ester
CAS Registry Number 109787-29-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O2S
InChI InChI=1S/C19H26O2S/c1-6-19(13-11-16(12-14-19)18(3,4)5)21-22(20)17-9-7-15(2)8-10-17/h1,7-10,16H,11-14H2,2-5H3
InChIKey HSDJEJDLOVFJQZ-UHFFFAOYSA-N
Molecular Weight 318.475 g/mol
SMILES C1(OS(c2ccc(cc2)C)=O)(C#C)CCC(C(C)(C)C)CC1
SPLASH splash10-0a4i-9300000000-38213133d685aa141187
Source of Spectrum J-52-4036-5
Synonyms 4-(1,1-Dimethylethyl)-1-ethynylcyclohexan-1-yl 4-methylbenzenesulfinate 4-tert-Butyl-1-ethynylcyclohexyl 4-methylbenzenesulfinate
Wiley ID 1318606