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5,5-Dimethyl-2-[(12'-oxo-12H-11'-oxa-16'-thiacyclopenta[a]phenanthren-17'-ylamino)methylene]-cyclohexane-1,3-dione
SpectraBase Compound ID CC453twfIh7
InChI InChI=1S/C24H19NO4S/c1-24(2)9-18(26)16(19(27)10-24)11-25-22-20-17(12-30-22)15-8-7-13-5-3-4-6-14(13)21(15)29-23(20)28/h3-8,11-12,25H,9-10H2,1-2H3
InChIKey UCYZNXRJRQYRDT-UHFFFAOYSA-N
Mol Weight 417.48 g/mol
Molecular Formula C24H19NO4S
Exact Mass 417.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I4kmH4OO3nJ
Name 5,5-Dimethyl-2-[(12'-oxo-12H-11'-oxa-16'-thiacyclopenta[a]phenanthren-17'-ylamino)methylene]-cyclohexane-1,3-dione
Alternate Name(s) 1,3-Cyclohexanedione 5,5-Dimethyl-2-{[(11-oxo-11H-benzo[h]thieno[3,4-c]chromen-1-yl)amino]methylene}-1,3-cyclohexanedione
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Formula C24H19NO4S
InChI InChI=1S/C24H19NO4S/c1-24(2)9-18(26)16(19(27)10-24)11-25-22-20-17(12-30-22)15-8-7-13-5-3-4-6-14(13)21(15)29-23(20)28/h3-8,11-12,25H,9-10H2,1-2H3
InChIKey UCYZNXRJRQYRDT-UHFFFAOYSA-N
Molecular Weight 417.479 g/mol
SMILES N(C=C1C(CC(CC1=O)(C)C)=O)c1c2c(-c3ccc4c(c3OC2=O)cccc4)cs1
SPLASH splash10-00kr-2339400000-bfb0fbf41fca74151ab3
Source of Spectrum AJ-43-564-23
Wiley ID 1593966