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Cyclopentanone, 2-ethyl-3-hydroxy-2-[3-hydroxy-5-(phenylthio)pentyl]-
SpectraBase Compound ID 5EGbBQqOx0D
InChI InChI=1S/C18H26O3S/c1-2-18(16(20)8-9-17(18)21)12-10-14(19)11-13-22-15-6-4-3-5-7-15/h3-7,14,16,19-20H,2,8-13H2,1H3/t14?,16-,18+/m0/s1
InChIKey PXQRSQQNKDDUQE-RNYWFIABSA-N
Mol Weight 322.46 g/mol
Molecular Formula C18H26O3S
Exact Mass 322.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID aAmlDxcWSA
Name Cyclopentanone, 2-ethyl-3-hydroxy-2-[3-hydroxy-5-(phenylthio)pentyl]-
CAS Registry Number 101750-89-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O3S
InChI InChI=1S/C18H26O3S/c1-2-18(16(20)8-9-17(18)21)12-10-14(19)11-13-22-15-6-4-3-5-7-15/h3-7,14,16,19-20H,2,8-13H2,1H3/t14?,16-,18+/m0/s1
InChIKey PXQRSQQNKDDUQE-RNYWFIABSA-N
Molecular Weight 322.463 g/mol
SMILES O[C@]1(CCC([C@@]1(CCC(CCSc1ccccc1)O)CC)=O)[H]
SPLASH splash10-0ab9-0309000000-c43e99d40b21fd428ad7
Source of Spectrum F-41-4479-12
Synonyms (2R,3S)-(+)-2-ethyl-2-(3'-hydroxy-5'-phenylthio-amyl)-3-hydroxy-cyclopentanone (2R,3S)-2-ethyl-3-hydroxy-2-[3-hydroxy-5-(phenylsulfanyl)pentyl]cyclopentanone
Wiley ID 1321686