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9-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
SpectraBase Compound ID K4QX3Xoh4V1
InChI InChI=1S/C25H27N3O3S/c1-24(2)9-15(29)20-17(11-24)31-18-12-25(3,4)10-16(30)21(18)19(20)13-5-7-14(8-6-13)22-27-28-23(26)32-22/h5-8,19H,9-12H2,1-4H3,(H2,26,28)
InChIKey VYTZAJIKTXAKOM-UHFFFAOYSA-N
Mol Weight 449.57 g/mol
Molecular Formula C25H27N3O3S
Exact Mass 449.177313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Dh8EqfB8i
Name 9-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
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Formula C25H27N3O3S
InChI InChI=1S/C25H27N3O3S/c1-24(2)9-15(29)20-17(11-24)31-18-12-25(3,4)10-16(30)21(18)19(20)13-5-7-14(8-6-13)22-27-28-23(26)32-22/h5-8,19H,9-12H2,1-4H3,(H2,26,28)
InChIKey VYTZAJIKTXAKOM-UHFFFAOYSA-N
Molecular Weight 449.569 g/mol
SMILES Nc1sc(-c2ccc(C3C4=C(CC(CC4=O)(C)C)OC4=C3C(CC(C)(C)C4)=O)cc2)nn1
SPLASH splash10-00fv-9331100000-d4d3ed3b331566691995
Synonyms 9-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione 9-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone 9-[4-(5-azanyl-1,3,4-thiadiazol-2-yl)phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Wiley ID 1447244