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5-exo-acetyl-5-[1-(phenylthio)ethenyl]bicyclo[2.2.1]hept-2-ene
SpectraBase Compound ID 2VdHVRK2IrU
InChI InChI=1S/C17H18OS/c1-12(18)17(11-14-8-9-15(17)10-14)13(2)19-16-6-4-3-5-7-16/h3-9,14-15H,2,10-11H2,1H3
InChIKey RLXLGFLAWDWQHY-UHFFFAOYSA-N
Mol Weight 270.39 g/mol
Molecular Formula C17H18OS
Exact Mass 270.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CK5WGYvh1L3
Name 5-exo-acetyl-5-[1-(phenylthio)ethenyl]bicyclo[2.2.1]hept-2-ene
CAS Registry Number 116503-36-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18OS
InChI InChI=1S/C17H18OS/c1-12(18)17(11-14-8-9-15(17)10-14)13(2)19-16-6-4-3-5-7-16/h3-9,14-15H,2,10-11H2,1H3
InChIKey RLXLGFLAWDWQHY-UHFFFAOYSA-N
Molecular Weight 270.390 g/mol
SMILES C1(C(Sc2ccccc2)=C)(C2C=CC(C1)C2)C(=O)C
SPLASH splash10-03di-1900000000-9293328e43578211f3db
Source of Spectrum J-53-5308-18
Synonyms 1-{2-[1-(phenylsulfanyl)vinyl]bicyclo[2.2.1]hept-5-en-2-yl}ethanone
Wiley ID 1274538