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2-cyclohexylethanethioic acid S-(4-methylphenyl) ester
SpectraBase Compound ID 3CQHE3JTrHP
InChI InChI=1S/C15H20OS/c1-12-7-9-14(10-8-12)17-15(16)11-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3
InChIKey KPBDFBRLHPCMCI-UHFFFAOYSA-N
Mol Weight 248.38 g/mol
Molecular Formula C15H20OS
Exact Mass 248.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cKXJNWDXur
Name 2-cyclohexylethanethioic acid S-(4-methylphenyl) ester
Alternate Name(s) 2-cyclohexylethanethioic acid S-(p-tolyl) ester S-(4-methylphenyl) 2-cyclohexylethanethioate S-(p-tolyl) 2-cyclohexylethanethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20OS
InChI InChI=1S/C15H20OS/c1-12-7-9-14(10-8-12)17-15(16)11-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3
InChIKey KPBDFBRLHPCMCI-UHFFFAOYSA-N
Molecular Weight 248.384 g/mol
SMILES C(CC1CCCCC1)(=O)Sc1ccc(cc1)C
SPLASH splash10-002b-9810000000-4bc7ae3715467adccfe8
Source of Spectrum F-53-7852-41
Wiley ID 802284