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Benzenepentanethioic acid, 2,4,6-trimethyl-.beta.-methylene-, S-ethyl ester
SpectraBase Compound ID EvaajPw4YyE
InChI InChI=1S/C17H24OS/c1-6-19-17(18)11-12(2)7-8-16-14(4)9-13(3)10-15(16)5/h9-10H,2,6-8,11H2,1,3-5H3
InChIKey DYSMHDJWLZNWIK-UHFFFAOYSA-N
Mol Weight 276.44 g/mol
Molecular Formula C17H24OS
Exact Mass 276.154787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KqGKZwyzwof
Name Benzenepentanethioic acid, 2,4,6-trimethyl-.beta.-methylene-, S-ethyl ester
Alternate Name(s) S-ethyl 3-(2-mesitylethyl)-3-butenethioate
CAS Registry Number 112303-81-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24OS
InChI InChI=1S/C17H24OS/c1-6-19-17(18)11-12(2)7-8-16-14(4)9-13(3)10-15(16)5/h9-10H,2,6-8,11H2,1,3-5H3
InChIKey DYSMHDJWLZNWIK-UHFFFAOYSA-N
Molecular Weight 276.438 g/mol
SMILES c1(c(cc(cc1C)C)C)CCC(CC(=O)SCC)=C
SPLASH splash10-001i-0900000000-ff28e18bae4ae3b56c87
Source of Spectrum C-110-4651-5
Wiley ID 1280299