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2-(1-Benzylthio-3,3,3-trifluoropropyl)cyclohexanone
SpectraBase Compound ID LWMXV6fuiqH
InChI InChI=1S/C16H19F3OS/c17-16(18,19)10-15(13-8-4-5-9-14(13)20)21-11-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2
InChIKey HMCFTFRMIVBYDI-UHFFFAOYSA-N
Mol Weight 316.38 g/mol
Molecular Formula C16H19F3OS
Exact Mass 316.110871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GlZSs0fxRsC
Name 2-(1-Benzylthio-3,3,3-trifluoropropyl)cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19F3OS
InChI InChI=1S/C16H19F3OS/c17-16(18,19)10-15(13-8-4-5-9-14(13)20)21-11-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2
InChIKey HMCFTFRMIVBYDI-UHFFFAOYSA-N
Molecular Weight 316.382 g/mol
SMILES C(CC(C1C(=O)CCCC1)SCc1ccccc1)(F)(F)F
SPLASH splash10-006x-9511000000-263f2cad474c6e70db65
Source of Spectrum KC-0-281-9
Synonyms 2-[1-(benzylsulfanyl)-3,3,3-trifluoropropyl]cyclohexanone 2-[3,3,3-trifluoro-1-(phenylmethylthio)propyl]-1-cyclohexanone 2-(1-benzylsulfanyl-3,3,3-trifluoropropyl)cyclohexan-1-one 2-(1-benzylsulfanyl-3,3,3-trifluoro-propyl)cyclohexanone 2-[3,3,3-tris(fluoranyl)-1-(phenylmethylsulfanyl)propyl]cyclohexan-1-one
Wiley ID 824281