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2-(3-Phenyl-1-phenylthioallyl)cyclohexanone
SpectraBase Compound ID LXsglfaxvHy
InChI InChI=1S/C21H22OS/c22-20-14-8-7-13-19(20)21(23-18-11-5-2-6-12-18)16-15-17-9-3-1-4-10-17/h1-6,9-12,15-16,19,21H,7-8,13-14H2/b16-15+
InChIKey RELUJTRRJAFZDY-FOCLMDBBSA-N
Mol Weight 322.47 g/mol
Molecular Formula C21H22OS
Exact Mass 322.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5KpPR4972vb
Name 2-(3-Phenyl-1-phenylthioallyl)cyclohexanone
Alternate Name(s) 2-[(2E)-3-phenyl-1-(phenylsulfanyl)-2-propenyl]cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22OS
InChI InChI=1S/C21H22OS/c22-20-14-8-7-13-19(20)21(23-18-11-5-2-6-12-18)16-15-17-9-3-1-4-10-17/h1-6,9-12,15-16,19,21H,7-8,13-14H2/b16-15+
InChIKey RELUJTRRJAFZDY-FOCLMDBBSA-N
Molecular Weight 322.466 g/mol
SMILES C(C1C(=O)CCCC1)(\C=C\c1ccccc1)Sc1ccccc1
SPLASH splash10-014i-2940000000-bbb9d6403ea76943c2f3
Source of Spectrum F-50-9376-21
Wiley ID 1322069