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benzenecarbothioic acid S-(4-prop-2-enylhepta-1,6-dien-4-yl) ester
SpectraBase Compound ID CUEBijITjAD
InChI InChI=1S/C17H20OS/c1-4-12-17(13-5-2,14-6-3)19-16(18)15-10-8-7-9-11-15/h4-11H,1-3,12-14H2
InChIKey CXMVLYHMFQHYSF-UHFFFAOYSA-N
Mol Weight 272.41 g/mol
Molecular Formula C17H20OS
Exact Mass 272.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JoG9gz9pD11
Name benzenecarbothioic acid S-(4-prop-2-enylhepta-1,6-dien-4-yl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20OS
InChI InChI=1S/C17H20OS/c1-4-12-17(13-5-2,14-6-3)19-16(18)15-10-8-7-9-11-15/h4-11H,1-3,12-14H2
InChIKey CXMVLYHMFQHYSF-UHFFFAOYSA-N
Molecular Weight 272.406 g/mol
SMILES C(SC(CC=C)(CC=C)CC=C)(=O)c1ccccc1
SPLASH splash10-0a6r-2910000000-0585a6907940d54ff5ab
Source of Spectrum QF-45-2600-3
Synonyms S-(1,1-diallylbut-3-enyl) benzenecarbothioate S-(4-prop-2-enylhepta-1,6-dien-4-yl) benzenecarbothioate thiobenzoic acid S-(1,1-diallylbut-3-enyl) ester
Wiley ID 833504