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1-[(1'-Hydroxy-2'-(phenylthio)but-3'-enyl]cyclohepta-2,5-diene-
SpectraBase Compound ID 76CIWteRgkp
InChI InChI=1S/C17H20OS/c1-2-16(19-15-12-8-5-9-13-15)17(18)14-10-6-3-4-7-11-14/h2-3,5-9,11-14,16-18H,1,4,10H2
InChIKey SHULMCBTCKXGCQ-UHFFFAOYSA-N
Mol Weight 272.41 g/mol
Molecular Formula C17H20OS
Exact Mass 272.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbmUkFxxSl2
Name 1-[(1'-Hydroxy-2'-(phenylthio)but-3'-enyl]cyclohepta-2,5-diene-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20OS
InChI InChI=1S/C17H20OS/c1-2-16(19-15-12-8-5-9-13-15)17(18)14-10-6-3-4-7-11-14/h2-3,5-9,11-14,16-18H,1,4,10H2
InChIKey SHULMCBTCKXGCQ-UHFFFAOYSA-N
Molecular Weight 272.406 g/mol
SMILES OC(C(Sc1ccccc1)C=C)C1C=CCC=CC1
SPLASH splash10-000e-9800000000-1ee6f5db3ca65f2ffff4
Source of Spectrum U1-1998-2146-9
Wiley ID 751659