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3-(Phenylthio)-9-oxobicyclo[3.3.1]non-2-ene
SpectraBase Compound ID 88mU2hQrla5
InChI InChI=1S/C15H16OS/c16-15-11-5-4-6-12(15)10-14(9-11)17-13-7-2-1-3-8-13/h1-3,7-9,11-12H,4-6,10H2/t11-,12+/m0/s1
InChIKey KZDFGCKRJKMGQU-NWDGAFQWSA-N
Mol Weight 244.35 g/mol
Molecular Formula C15H16OS
Exact Mass 244.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cjngTgCa6b
Name 3-(Phenylthio)-9-oxobicyclo[3.3.1]non-2-ene
Alternate Name(s) 3-(Phenylsulfanyl)bicyclo[3.3.1]non-2-en-9-one
CAS Registry Number 90838-49-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16OS
InChI InChI=1S/C15H16OS/c16-15-11-5-4-6-12(15)10-14(9-11)17-13-7-2-1-3-8-13/h1-3,7-9,11-12H,4-6,10H2/t11-,12+/m0/s1
InChIKey KZDFGCKRJKMGQU-NWDGAFQWSA-N
Molecular Weight 244.352 g/mol
SMILES C1(=C[C@@]2(CCC[C@@](C2=O)(C1)[H])[H])Sc1ccccc1
SPLASH splash10-0002-0190000000-41fd785dfce266e35707
Source of Spectrum J-49-3137-0
Wiley ID 100841