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1-Phenylthio-2-trifluoroacetoxyoctane
SpectraBase Compound ID JwstxLsncOb
InChI InChI=1S/C16H21F3O2S/c1-2-3-4-6-9-13(21-15(20)16(17,18)19)12-22-14-10-7-5-8-11-14/h5,7-8,10-11,13H,2-4,6,9,12H2,1H3
InChIKey VYIOLAPNIZMOBM-UHFFFAOYSA-N
Mol Weight 334.4 g/mol
Molecular Formula C16H21F3O2S
Exact Mass 334.121436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Wf0dCLjSz0
Name 1-Phenylthio-2-trifluoroacetoxyoctane
Alternate Name(s) 1-[(phenylsulfanyl)methyl]heptyl trifluoroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21F3O2S
InChI InChI=1S/C16H21F3O2S/c1-2-3-4-6-9-13(21-15(20)16(17,18)19)12-22-14-10-7-5-8-11-14/h5,7-8,10-11,13H,2-4,6,9,12H2,1H3
InChIKey VYIOLAPNIZMOBM-UHFFFAOYSA-N
Molecular Weight 334.397 g/mol
SMILES C(C(OC(CSc1ccccc1)CCCCCC)=O)(F)(F)F
SPLASH splash10-00di-0940000000-fbf6de939d67482e88c2
Source of Spectrum KC-1985-1041-8
Wiley ID 1330746