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Cyclopentanol, 1-methyl-2-(phenylthio)-, trans-(.+-.)-
SpectraBase Compound ID 8FPQQolSjPM
InChI InChI=1S/C12H16OS/c1-12(13)9-5-8-11(12)14-10-6-3-2-4-7-10/h2-4,6-7,11,13H,5,8-9H2,1H3/t11-,12-/m1/s1
InChIKey UQPPDDOJCDSJNK-VXGBXAGGSA-N
Mol Weight 208.32 g/mol
Molecular Formula C12H16OS
Exact Mass 208.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hl8kVquszf
Name Cyclopentanol, 1-methyl-2-(phenylthio)-, trans-(.+-.)-
Alternate Name(s) (1R,2R)-1-methyl-2-(phenylsulfanyl)cyclopentanol (1SR,2RS)-1-Methyl-2-phenylthiocyclopentanol
CAS Registry Number 125334-93-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16OS
InChI InChI=1S/C12H16OS/c1-12(13)9-5-8-11(12)14-10-6-3-2-4-7-10/h2-4,6-7,11,13H,5,8-9H2,1H3/t11-,12-/m1/s1
InChIKey UQPPDDOJCDSJNK-VXGBXAGGSA-N
Molecular Weight 208.319 g/mol
SMILES O[C@]1([C@](Sc2ccccc2)(CCC1)[H])C
SPLASH splash10-01ot-9640000000-57ae764ca582ae17b16c
Source of Spectrum KC-1989-307-7
Wiley ID 1206735