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6-Methyl-5-phenylthiohepta-1,4(Z),6-triene
SpectraBase Compound ID 87jpqKOMT1D
InChI InChI=1S/C14H16S/c1-4-5-11-14(12(2)3)15-13-9-7-6-8-10-13/h4,6-11H,1-2,5H2,3H3/b14-11-
InChIKey HOHUJLSLSGBQSI-KAMYIIQDSA-N
Mol Weight 216.34 g/mol
Molecular Formula C14H16S
Exact Mass 216.097272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FyjDSD0pvsB
Name 6-Methyl-5-phenylthiohepta-1,4(Z),6-triene
Alternate Name(s) (Z)-(2-methylhepta-1,3,6-trien-3-yl)(phenyl)sulfane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16S
InChI InChI=1S/C14H16S/c1-4-5-11-14(12(2)3)15-13-9-7-6-8-10-13/h4,6-11H,1-2,5H2,3H3/b14-11-
InChIKey HOHUJLSLSGBQSI-KAMYIIQDSA-N
Literature Reference DOI 10.1021/ol062686r
Molecular Weight 216.342 g/mol
SMILES C(\C(Sc1ccccc1)=C\CC=C)(=C)C
SPLASH splash10-0lfu-9750000000-ac850cd53b99f29af481
Source of Spectrum A1-9-263/SMS5-3ja
Wiley ID 1757756