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1-ethynyl-6-[(Z)-2-[(1E,3E)-4-(6-ethynylcyclohepta-1,3,5-trien-1-yl)buta-1,3-dienyl]sulfanylethenyl]cyclohepta-1,3,5-triene

View entire compound with spectra: 1 MS (GC)

1-ethynyl-6-[(Z)-2-[(1E,3E)-4-(6-ethynylcyclohepta-1,3,5-trien-1-yl)buta-1,3-dienyl]sulfanylethenyl]cyclohepta-1,3,5-triene
SpectraBase Compound ID 6hzNFdJvdob
InChI InChI=1S/C24H20S/c1-3-21-11-5-7-13-23(19-21)15-9-10-17-25-18-16-24-14-8-6-12-22(4-2)20-24/h1-2,5-18H,19-20H2/b15-9+,17-10+,18-16-
InChIKey UTYBDOWDCWRZNA-OYUZAKJZSA-N
Mol Weight 340.48 g/mol
Molecular Formula C24H20S
Exact Mass 340.128572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K60ofT6cpCD
Name 1-ethynyl-6-[(Z)-2-[(1E,3E)-4-(6-ethynylcyclohepta-1,3,5-trien-1-yl)buta-1,3-dienyl]sulfanylethenyl]cyclohepta-1,3,5-triene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H20S
InChI InChI=1S/C24H20S/c1-3-21-11-5-7-13-23(19-21)15-9-10-17-25-18-16-24-14-8-6-12-22(4-2)20-24/h1-2,5-18H,19-20H2/b15-9+,17-10+,18-16-
InChIKey UTYBDOWDCWRZNA-OYUZAKJZSA-N
Molecular Weight 340.484 g/mol
SMILES C(#C)C1=CC=CC=C(C1)\C=C\C=C\S\C=C/C1=CC=CC=C(C#C)C1
SPLASH splash10-0a4i-9000000000-102196e758d47c29b032
Source of Spectrum PS-0-2761-11
Synonyms 1-ethynyl-6-[(Z)-2-[(1E,3E)-4-(6-ethynylcyclohepta-1,3,5-trien-1-yl)buta-1,3-dienyl]sulfanylvinyl]cyclohepta-1,3,5-triene 1-ethynyl-6-[(Z)-2-[[(1E,3E)-4-(6-ethynyl-1-cyclohepta-1,3,5-trienyl)buta-1,3-dienyl]thio]ethenyl]cyclohepta-1,3,5-triene 1-ethynyl-6-[(Z)-2-[[(1E,3E)-4-(6-ethynylcyclohepta-1,3,5-trien-1-yl)buta-1,3-dienyl]thio]vinyl]cyclohepta-1,3,5-triene
Wiley ID 786823