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Cyclopentanone, 2-ethyl-3-hydroxy-2-[3-oxo-5-(phenylthio)pentyl]-, (2R-trans)-
SpectraBase Compound ID 718Jid3o89W
InChI InChI=1S/C18H24O3S/c1-2-18(16(20)8-9-17(18)21)12-10-14(19)11-13-22-15-6-4-3-5-7-15/h3-7,16,20H,2,8-13H2,1H3/t16-,18+/m0/s1
InChIKey IMHSEFKOUNMSEA-FUHWJXTLSA-N
Mol Weight 320.45 g/mol
Molecular Formula C18H24O3S
Exact Mass 320.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQWeDSGtDum
Name Cyclopentanone, 2-ethyl-3-hydroxy-2-[3-oxo-5-(phenylthio)pentyl]-, (2R-trans)-
Alternate Name(s) (2R,3S)-(+)-2-ethyl-2-(3'-oxo-5'-phenylthio-amyl)-3-hydroxy-cyclopentanone (2R,3S)-2-ethyl-3-hydroxy-2-[3-oxo-5-(phenylsulfanyl)pentyl]cyclopentanone
CAS Registry Number 101765-05-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O3S
InChI InChI=1S/C18H24O3S/c1-2-18(16(20)8-9-17(18)21)12-10-14(19)11-13-22-15-6-4-3-5-7-15/h3-7,16,20H,2,8-13H2,1H3/t16-,18+/m0/s1
InChIKey IMHSEFKOUNMSEA-FUHWJXTLSA-N
Molecular Weight 320.447 g/mol
SMILES O[C@@]1([C@](C(CC1)=O)(CCC(=O)CCSc1ccccc1)CC)[H]
SPLASH splash10-05fr-2900000000-682adaadfcd72dc04d6b
Source of Spectrum F-41-4479-11
Wiley ID 1320113