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Benzene, [(2,3,4-trimethyl-1,3-pentadienyl)thio]-
SpectraBase Compound ID 3tTfwZoGc6e
InChI InChI=1S/C14H18S/c1-11(2)13(4)12(3)10-15-14-8-6-5-7-9-14/h5-10H,1-4H3/b12-10+
InChIKey JJTBURSTMHZCCD-ZRDIBKRKSA-N
Mol Weight 218.36 g/mol
Molecular Formula C14H18S
Exact Mass 218.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Konh5DGZDbD
Name Benzene, [(2,3,4-trimethyl-1,3-pentadienyl)thio]-
CAS Registry Number 63996-61-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18S
InChI InChI=1S/C14H18S/c1-11(2)13(4)12(3)10-15-14-8-6-5-7-9-14/h5-10H,1-4H3/b12-10+
InChIKey JJTBURSTMHZCCD-ZRDIBKRKSA-N
Molecular Weight 218.358 g/mol
SMILES C(\C(=C\Sc1ccccc1)C)(=C(C)C)C
SPLASH splash10-014l-4960000000-c29be0d872bc94715e92
Source of Spectrum KC-1977-1140-0
Synonyms 2,3,4-Trimethyl-1-(phenylthio)penta-1,3-diene phenyl (1E)-2,3,4-trimethyl-1,3-pentadienyl sulfide {[(1E)-2,3,4-trimethyl-1,3-pentadienyl]sulfanyl}benzene
Wiley ID 1218076