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1-(1-Phenylthio-2-cyclopentenyl)-1-heptanone
SpectraBase Compound ID LifXHyqUvTn
InChI InChI=1S/C18H24OS/c1-2-3-4-8-13-17(19)18(14-9-10-15-18)20-16-11-6-5-7-12-16/h5-7,9,11-12,14H,2-4,8,10,13,15H2,1H3
InChIKey AWAGBYGXQQGETJ-UHFFFAOYSA-N
Mol Weight 288.45 g/mol
Molecular Formula C18H24OS
Exact Mass 288.154787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5wP39mKiJUt
Name 1-(1-Phenylthio-2-cyclopentenyl)-1-heptanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24OS
InChI InChI=1S/C18H24OS/c1-2-3-4-8-13-17(19)18(14-9-10-15-18)20-16-11-6-5-7-12-16/h5-7,9,11-12,14H,2-4,8,10,13,15H2,1H3
InChIKey AWAGBYGXQQGETJ-UHFFFAOYSA-N
Molecular Weight 288.449 g/mol
SMILES C1(Sc2ccccc2)(C(=O)CCCCCC)C=CCC1
SPLASH splash10-004i-0900000000-86ecbc5cd24dbcfbf6a7
Source of Spectrum AJ-65-2971-5
Synonyms 1-[1-(phenylsulfanyl)-2-cyclopenten-1-yl]-1-heptanone
Wiley ID 771780