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5(6H)-Benzocyclooctenone, 7,8,9,10-tetrahydro-6-(methylthio)-
SpectraBase Compound ID J9DAdNMrhWv
InChI InChI=1S/C13H16OS/c1-15-12-9-5-3-7-10-6-2-4-8-11(10)13(12)14/h2,4,6,8,12H,3,5,7,9H2,1H3
InChIKey YJAKDYJQZIOWCD-UHFFFAOYSA-N
Mol Weight 220.33 g/mol
Molecular Formula C13H16OS
Exact Mass 220.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxiwvxN1TLT
Name 5(6H)-Benzocyclooctenone, 7,8,9,10-tetrahydro-6-(methylthio)-
CAS Registry Number 88021-69-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16OS
InChI InChI=1S/C13H16OS/c1-15-12-9-5-3-7-10-6-2-4-8-11(10)13(12)14/h2,4,6,8,12H,3,5,7,9H2,1H3
InChIKey YJAKDYJQZIOWCD-UHFFFAOYSA-N
Molecular Weight 220.330 g/mol
SMILES C1(c2c(cccc2)CCCCC1SC)=O
SPLASH splash10-0006-0930000000-70986c9c4854582ea7ed
Source of Spectrum KC-1983-1987-0
Synonyms 6-(methylthio)-7,8,9,10-tetrahydro-6H-benzo[8]annulen-5-one 6-Methylsulfanyl-7,8,9,10-tetrahydro-6H-benzo[8]annulen-5-one
Wiley ID 1219829