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4-(Phenylthio)-6-methylbicyclo[4.4.0]deca-1,3-dien-7-one
SpectraBase Compound ID GYeGhoBWTkO
InChI InChI=1S/C17H18OS/c1-17-12-15(19-14-7-3-2-4-8-14)11-10-13(17)6-5-9-16(17)18/h2-4,7-8,10-11H,5-6,9,12H2,1H3
InChIKey LYTHZXYOMJSGNQ-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 2dhhHLoQiXF
Name 4-(Phenylthio)-6-methylbicyclo[4.4.0]deca-1,3-dien-7-one
CAS Registry Number 85335-98-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18OS
InChI InChI=1S/C17H18OS/c1-17-12-15(19-14-7-3-2-4-8-14)11-10-13(17)6-5-9-16(17)18/h2-4,7-8,10-11H,5-6,9,12H2,1H3
InChIKey LYTHZXYOMJSGNQ-UHFFFAOYSA-N
Molecular Weight 270.390 g/mol
SMILES C12(C(=CC=C(C2)Sc2ccccc2)CCCC1=O)C
SPLASH splash10-05fr-0950000000-5e86fb4c9a3c1c7f6845
Source of Spectrum J-50-4260-26
Synonyms 8a-methyl-7-(phenylsulfanyl)-3,4,8,8a-tetrahydro-1(2H)-naphthalenone
Wiley ID 1274537