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9-(4-Methylsulfanyl-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
SpectraBase Compound ID DcHBDHp55af
InChI InChI=1S/C20H20O3S/c1-24-13-10-8-12(9-11-13)18-19-14(21)4-2-6-16(19)23-17-7-3-5-15(22)20(17)18/h8-11,18H,2-7H2,1H3
InChIKey RQCBDWAZYPALQW-UHFFFAOYSA-N
Mol Weight 340.44 g/mol
Molecular Formula C20H20O3S
Exact Mass 340.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BWOco1TIs
Name 9-(4-Methylsulfanyl-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
Alternate Name(s) 9-[4-(Methylsulfanyl)phenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione 9-[4-(methylthio)phenyl]-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione 9-[4-(methylthio)phenyl]-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O3S
InChI InChI=1S/C20H20O3S/c1-24-13-10-8-12(9-11-13)18-19-14(21)4-2-6-16(19)23-17-7-3-5-15(22)20(17)18/h8-11,18H,2-7H2,1H3
InChIKey RQCBDWAZYPALQW-UHFFFAOYSA-N
Molecular Weight 340.437 g/mol
SMILES C1=2C(C=3C(=O)CCCC3OC2CCCC1=O)c1ccc(cc1)SC
SPLASH splash10-0006-3494000000-3a18ec4def9c0940a09a
Wiley ID 1461182