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3-(Phenylthio)-8-oxobicyclo[3.2.1]oct-2-ene
SpectraBase Compound ID BC8PeNilTF8
InChI InChI=1S/C14H14OS/c15-14-10-6-7-11(14)9-13(8-10)16-12-4-2-1-3-5-12/h1-5,8,10-11H,6-7,9H2
InChIKey GECDBBGLXTUXCI-UHFFFAOYSA-N
Mol Weight 230.32 g/mol
Molecular Formula C14H14OS
Exact Mass 230.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Hzqj8VQkpn
Name 3-(Phenylthio)-8-oxobicyclo[3.2.1]oct-2-ene
CAS Registry Number 90838-31-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14OS
InChI InChI=1S/C14H14OS/c15-14-10-6-7-11(14)9-13(8-10)16-12-4-2-1-3-5-12/h1-5,8,10-11H,6-7,9H2
InChIKey GECDBBGLXTUXCI-UHFFFAOYSA-N
Molecular Weight 230.325 g/mol
SMILES C1(=CC2CCC(C2=O)C1)Sc1ccccc1
SPLASH splash10-001i-0290000000-daaddcf82113f799dd42
Source of Spectrum J-49-3137-0
Synonyms 3-(Phenylsulfanyl)bicyclo[3.2.1]oct-2-en-8-one
Wiley ID 98203