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1-Phenylsulfenyl-3-(.alpha.-hydroxy)benzylpent-4-en-1-yne
SpectraBase Compound ID COnPRDqgMwI
InChI InChI=1S/C18H16OS/c1-2-15(18(19)16-9-5-3-6-10-16)13-14-20-17-11-7-4-8-12-17/h2-12,15,18-19H,1H2
InChIKey YPDYBFSOLYVJNE-UHFFFAOYSA-N
Mol Weight 280.38 g/mol
Molecular Formula C18H16OS
Exact Mass 280.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FuvBtKkx8eM
Name 1-Phenylsulfenyl-3-(.alpha.-hydroxy)benzylpent-4-en-1-yne
Alternate Name(s) 1-Phenyl-2-[(phenylsulfanyl)ethynyl]-3-buten-1-ol 1-Phenylsulfenyl-3-hydroxybenzylpent-4-en-1-yne
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16OS
InChI InChI=1S/C18H16OS/c1-2-15(18(19)16-9-5-3-6-10-16)13-14-20-17-11-7-4-8-12-17/h2-12,15,18-19H,1H2
InChIKey YPDYBFSOLYVJNE-UHFFFAOYSA-N
Molecular Weight 280.385 g/mol
SMILES OC(C(C#CSc1ccccc1)C=C)c1ccccc1
SPLASH splash10-00di-2900000000-9cbb710057295aa377e1
Source of Spectrum F-49-10418-17
Wiley ID 788990