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(E/Z)-1-phenyl-5-phenylthiohex-4-en-1-one
SpectraBase Compound ID KfQVEVL1lV9
InChI InChI=1S/C18H18OS/c1-15(20-17-12-6-3-7-13-17)9-8-14-18(19)16-10-4-2-5-11-16/h2-7,9-13H,8,14H2,1H3/b15-9+
InChIKey ZYLXGMJHZPXCJQ-OQLLNIDSSA-N
Mol Weight 282.4 g/mol
Molecular Formula C18H18OS
Exact Mass 282.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LLrMuXb7p7u
Name (E/Z)-1-phenyl-5-phenylthiohex-4-en-1-one
CAS Registry Number 125417-47-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18OS
InChI InChI=1S/C18H18OS/c1-15(20-17-12-6-3-7-13-17)9-8-14-18(19)16-10-4-2-5-11-16/h2-7,9-13H,8,14H2,1H3/b15-9+
InChIKey ZYLXGMJHZPXCJQ-OQLLNIDSSA-N
Molecular Weight 282.401 g/mol
SMILES C(\C=C/(Sc1ccccc1)C)CC(=O)c1ccccc1
SPLASH splash10-0ab9-2910000000-69e9f62a0d893e6de3f1
Source of Spectrum KC-1989-1635-15
Synonyms (4E)-1-phenyl-5-(phenylsulfanyl)-4-hexen-1-one
Wiley ID 1286218