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Benzene, [(1-methylene-2,5-hexadienyl)thio]-, (E)-
SpectraBase Compound ID 74umOdyEguF
InChI InChI=1S/C13H14S/c1-3-4-6-9-12(2)14-13-10-7-5-8-11-13/h3,5-11H,1-2,4H2/b9-6+
InChIKey NBMHOOIFZLOJTD-RMKNXTFCSA-N
Mol Weight 202.31 g/mol
Molecular Formula C13H14S
Exact Mass 202.081622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KigR4qXin1q
Name Benzene, [(1-methylene-2,5-hexadienyl)thio]-, (E)-
CAS Registry Number 110026-96-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14S
InChI InChI=1S/C13H14S/c1-3-4-6-9-12(2)14-13-10-7-5-8-11-13/h3,5-11H,1-2,4H2/b9-6+
InChIKey NBMHOOIFZLOJTD-RMKNXTFCSA-N
Molecular Weight 202.315 g/mol
SMILES C(Sc1ccccc1)(\C=C\CC=C)=C
SPLASH splash10-004l-9320000000-c79282d54609324f20fe
Source of Spectrum J-52-4470-4
Synonyms (2E)-1-methylene-2,5-hexadienyl phenyl sulfide (E)-2-(phenylthio)-1,3,6-heptatriene {[(2E)-1-methylene-2,5-hexadienyl]sulfanyl}benzene
Wiley ID 1200142