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1,4-Dimethoxy-6-phenylsulfanyl-benzocyclohepten-7-one
SpectraBase Compound ID DmncpdZpla
InChI InChI=1S/C19H16O3S/c1-21-17-10-11-18(22-2)15-12-19(16(20)9-8-14(15)17)23-13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKey OFUGIDBJZTVEKU-UHFFFAOYSA-N
Mol Weight 324.39 g/mol
Molecular Formula C19H16O3S
Exact Mass 324.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUGItJ8DQNy
Name 1,4-Dimethoxy-6-phenylsulfanyl-benzocyclohepten-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16O3S
InChI InChI=1S/C19H16O3S/c1-21-17-10-11-18(22-2)15-12-19(16(20)9-8-14(15)17)23-13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKey OFUGIDBJZTVEKU-UHFFFAOYSA-N
Molecular Weight 324.394 g/mol
SMILES C1=C(C(C=Cc2c1c(ccc2OC)OC)=O)Sc1ccccc1
SPLASH splash10-0089-0089000000-45fa104d480551d602a1
Source of Spectrum KC-0-1312-6
Synonyms 1,4-Dimethoxy-6-(phenylsulfanyl)-7H-benzo[a]cyclohepten-7-one 6-Phenylthio-1,4-dimethoxy-7H-benzocyclohepten-6-one
Wiley ID 821236