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5-Phenylthiohexa-1,4(Z)-diene
SpectraBase Compound ID EdJLiX41F6q
InChI InChI=1S/C12H14S/c1-3-4-8-11(2)13-12-9-6-5-7-10-12/h3,5-10H,1,4H2,2H3/b11-8-
InChIKey CDPBCCRLTNJSHF-FLIBITNWSA-N
Mol Weight 190.3 g/mol
Molecular Formula C12H14S
Exact Mass 190.081622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7x3ibaj9gcy
Name 5-Phenylthiohexa-1,4(Z)-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14S
InChI InChI=1S/C12H14S/c1-3-4-8-11(2)13-12-9-6-5-7-10-12/h3,5-10H,1,4H2,2H3/b11-8-
InChIKey CDPBCCRLTNJSHF-FLIBITNWSA-N
Literature Reference DOI 10.1021/ol062686r
Molecular Weight 190.304 g/mol
SMILES C\C(Sc1ccccc1)=C\CC=C
SPLASH splash10-01u0-9400000000-2a7603bd824caffbf657
Source of Spectrum A1-9-263/SMS2-3ba
Synonyms (Z)-hexa-2,5-dien-2-yl(phenyl)sulfane
Wiley ID 1757749