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Acetic acid, trifluoro-, 2-(phenylthio)cyclohexyl ester, trans-
SpectraBase Compound ID 18Jx0NPp3TZ
InChI InChI=1S/C14H15F3O2S/c15-14(16,17)13(18)19-11-8-4-5-9-12(11)20-10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2/t11-,12-/m1/s1
InChIKey FSIBFRYIWOPXER-VXGBXAGGSA-N
Mol Weight 304.33 g/mol
Molecular Formula C14H15F3O2S
Exact Mass 304.074485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D7oxpDd3KC9
Name Acetic acid, trifluoro-, 2-(phenylthio)cyclohexyl ester, trans-
CAS Registry Number 98289-55-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15F3O2S
InChI InChI=1S/C14H15F3O2S/c15-14(16,17)13(18)19-11-8-4-5-9-12(11)20-10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2/t11-,12-/m1/s1
InChIKey FSIBFRYIWOPXER-VXGBXAGGSA-N
Molecular Weight 304.327 g/mol
SMILES C(C(O[C@]1([C@](Sc2ccccc2)(CCCC1)[H])[H])=O)(F)(F)F
SPLASH splash10-001i-8900000000-3c04ab4babe377fdf5b5
Source of Spectrum KC-1985-1041-1
Synonyms (1R,2R)-2-(phenylsulfanyl)cyclohexyl trifluoroacetate trans-1-phenylthio-2-trifluoroacetoxycyclohexane
Wiley ID 1306118