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5-Methyl-1-[3-(phenylthio)propyl]bicyclo[3.2.1]oct-3-en-2-one
SpectraBase Compound ID 4kqU7DwbeuE
InChI InChI=1S/C18H22OS/c1-17-10-8-16(19)18(14-17,12-11-17)9-5-13-20-15-6-3-2-4-7-15/h2-4,6-8,10H,5,9,11-14H2,1H3
InChIKey GZDIYKPYKVTVRK-UHFFFAOYSA-N
Mol Weight 286.43 g/mol
Molecular Formula C18H22OS
Exact Mass 286.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4P1tgfKrLIU
Name 5-Methyl-1-[3-(phenylthio)propyl]bicyclo[3.2.1]oct-3-en-2-one
CAS Registry Number 67316-21-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22OS
InChI InChI=1S/C18H22OS/c1-17-10-8-16(19)18(14-17,12-11-17)9-5-13-20-15-6-3-2-4-7-15/h2-4,6-8,10H,5,9,11-14H2,1H3
InChIKey GZDIYKPYKVTVRK-UHFFFAOYSA-N
Molecular Weight 286.433 g/mol
SMILES C12(C(C=CC(C2)(C)CC1)=O)CCCSc1ccccc1
SPLASH splash10-004j-0910000000-95b26f259f05aa57a1cf
Source of Spectrum J-43-4068-0
Synonyms 5-Methyl-1-[3-(phenylsulfanyl)propyl]bicyclo[3.2.1]oct-3-en-2-one
Wiley ID 1290141