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4-(Phenylthio)-6-acetylbicyclo[4.4.0]deca-1,3-diene
SpectraBase Compound ID 1YuQfCdDtvN
InChI InChI=1S/C18H20OS/c1-14(19)18-12-6-5-7-15(18)10-11-17(13-18)20-16-8-3-2-4-9-16/h2-4,8-11H,5-7,12-13H2,1H3
InChIKey QWJUEGFISYVZTH-UHFFFAOYSA-N
Mol Weight 284.42 g/mol
Molecular Formula C18H20OS
Exact Mass 284.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L4pR5hQQwaH
Name 4-(Phenylthio)-6-acetylbicyclo[4.4.0]deca-1,3-diene
CAS Registry Number 85336-00-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20OS
InChI InChI=1S/C18H20OS/c1-14(19)18-12-6-5-7-15(18)10-11-17(13-18)20-16-8-3-2-4-9-16/h2-4,8-11H,5-7,12-13H2,1H3
InChIKey QWJUEGFISYVZTH-UHFFFAOYSA-N
Molecular Weight 284.417 g/mol
SMILES C12(C(=CC=C(C2)Sc2ccccc2)CCCC1)C(=O)C
SPLASH splash10-000x-3980000000-c745d020de26d0aff968
Source of Spectrum J-50-4263-36
Synonyms 1-(6-(phenylsulfanyl)-1,3,4,5-tetrahydro-4a(2H)-naphthalenyl)ethanone
Wiley ID 1288221