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6-(Phenylsulfanyl)-3,4,4a,8a-tetrahydro-1,8(2H,5H)-naphthalenedione
SpectraBase Compound ID GoWJZxsYvXb
InChI InChI=1S/C16H16O2S/c17-14-8-4-5-11-9-13(10-15(18)16(11)14)19-12-6-2-1-3-7-12/h1-3,6-7,10-11,16H,4-5,8-9H2
InChIKey DLORIUSFCIXTSM-UHFFFAOYSA-N
Mol Weight 272.36 g/mol
Molecular Formula C16H16O2S
Exact Mass 272.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9VqnMp10G1J
Name 6-(Phenylsulfanyl)-3,4,4a,8a-tetrahydro-1,8(2H,5H)-naphthalenedione
CAS Registry Number 105090-14-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O2S
InChI InChI=1S/C16H16O2S/c17-14-8-4-5-11-9-13(10-15(18)16(11)14)19-12-6-2-1-3-7-12/h1-3,6-7,10-11,16H,4-5,8-9H2
InChIKey DLORIUSFCIXTSM-UHFFFAOYSA-N
Molecular Weight 272.362 g/mol
SMILES C1(C=C(Sc2ccccc2)CC2C1C(=O)CCC2)=O
SPLASH splash10-024u-3790000000-76c2cd6893ee2758ba08
Source of Spectrum J-52-117-16
Synonyms 6-(Phenylthio)-2,3,4,4a,5,8a-hexahydronaphthalene-1,8-dione 6-(Phenylthio)-2,3,4,4a,5,8a-hexahydronaphthalene-1,8-quinone 6-Phenylsulfanyl-2,3,4,4a,5,8a-hexahydronaphthalene-1,8-dione
Wiley ID 1276222