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S-tert-Butyl 6-methylhept-6-enethioate
SpectraBase Compound ID 2pJ8Lapbq8e
InChI InChI=1S/C12H22OS/c1-10(2)8-6-7-9-11(13)14-12(3,4)5/h1,6-9H2,2-5H3
InChIKey NKALXENTCSJGLK-UHFFFAOYSA-N
Mol Weight 214.37 g/mol
Molecular Formula C12H22OS
Exact Mass 214.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4s25BZkP6kr
Name S-tert-Butyl 6-methylhept-6-enethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22OS
InChI InChI=1S/C12H22OS/c1-10(2)8-6-7-9-11(13)14-12(3,4)5/h1,6-9H2,2-5H3
InChIKey NKALXENTCSJGLK-UHFFFAOYSA-N
Molecular Weight 214.367 g/mol
SMILES C(CCCCC(=C)C)(=O)SC(C)(C)C
SPLASH splash10-056s-9700000000-595bc403438d69d67bdf
Source of Spectrum U1-2002-2733-0
Synonyms 6-Methyl-6-heptenethioic acid S-tert-butyl ester 6-Methylhept-6-enethioic acid S-tert-butyl ester
Wiley ID 1522877