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2-(1-cyclohexenyl)-5,6-dimethoxy-3-(phenylthio)cyclohexa-2,5-diene-1,4-dione
SpectraBase Compound ID LfjOLT1LBj3
InChI InChI=1S/C20H20O4S/c1-23-18-16(21)15(13-9-5-3-6-10-13)20(17(22)19(18)24-2)25-14-11-7-4-8-12-14/h4,7-9,11-12H,3,5-6,10H2,1-2H3
InChIKey IUMYTRBKRYOJKS-UHFFFAOYSA-N
Mol Weight 356.44 g/mol
Molecular Formula C20H20O4S
Exact Mass 356.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQGJhm8ONj0
Name 2-(1-cyclohexenyl)-5,6-dimethoxy-3-(phenylthio)cyclohexa-2,5-diene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O4S
InChI InChI=1S/C20H20O4S/c1-23-18-16(21)15(13-9-5-3-6-10-13)20(17(22)19(18)24-2)25-14-11-7-4-8-12-14/h4,7-9,11-12H,3,5-6,10H2,1-2H3
InChIKey IUMYTRBKRYOJKS-UHFFFAOYSA-N
Molecular Weight 356.436 g/mol
SMILES C1(=C(C(=O)C(=C(C1=O)OC)OC)C1=CCCCC1)Sc1ccccc1
SPLASH splash10-0a4i-0029000000-34a9e2f522050c71c5e5
Source of Spectrum J-61-336-0
Synonyms 2-(cyclohexen-1-yl)-5,6-dimethoxy-3-(phenylthio)-p-benzoquinone 2-(cyclohexen-1-yl)-5,6-dimethoxy-3-phenylsulfanyl-1,4-benzoquinone 2-(cyclohexen-1-yl)-5,6-dimethoxy-3-phenylsulfanyl-cyclohexa-2,5-diene-1,4-dione
Wiley ID 1345782