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2-[2-(Benzyloxy)ethyl]-2-[3-chloro-1-(phenylthio)propyl]cyclopentanone
SpectraBase Compound ID ERIQFZ9F0d5
InChI InChI=1S/C23H27ClO2S/c24-16-13-22(27-20-10-5-2-6-11-20)23(14-7-12-21(23)25)15-17-26-18-19-8-3-1-4-9-19/h1-6,8-11,22H,7,12-18H2
InChIKey KHURIAWPVQLCPR-UHFFFAOYSA-N
Mol Weight 402.98 g/mol
Molecular Formula C23H27ClO2S
Exact Mass 402.142029 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6CyRPSurIq1
Name 2-[2-(Benzyloxy)ethyl]-2-[3-chloro-1-(phenylthio)propyl]cyclopentanone
CAS Registry Number 131685-36-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27ClO2S
InChI InChI=1S/C23H27ClO2S/c24-16-13-22(27-20-10-5-2-6-11-20)23(14-7-12-21(23)25)15-17-26-18-19-8-3-1-4-9-19/h1-6,8-11,22H,7,12-18H2
InChIKey KHURIAWPVQLCPR-UHFFFAOYSA-N
Molecular Weight 402.980 g/mol
SMILES C1(C(Sc2ccccc2)CCCl)(C(=O)CCC1)CCOCc1ccccc1
SPLASH splash10-0f6x-9200600000-97f20b32f8b4a6bf9b14
Source of Spectrum C-113-2605-17
Synonyms 2-[2-(benzyloxy)ethyl]-2-[3-chloro-1-(phenylsulfanyl)propyl]cyclopentanone
Wiley ID 1370406