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N-(3',6'-dihydroxy-3-keto-spiro[phthalan-1,9'-xanthene]-5-yl)benzamide
SpectraBase Compound ID DZxbbzFPWxQ
InChI InChI=1S/C27H17NO6/c29-17-7-10-21-23(13-17)33-24-14-18(30)8-11-22(24)27(21)20-9-6-16(12-19(20)26(32)34-27)28-25(31)15-4-2-1-3-5-15/h1-14,29-30H,(H,28,31)
InChIKey SEKYDTRVGNAEDZ-UHFFFAOYSA-N
Mol Weight 451.43 g/mol
Molecular Formula C27H17NO6
Exact Mass 451.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BdyQI4G127G
Name N-(3',6'-dihydroxy-3-keto-spiro[phthalan-1,9'-xanthene]-5-yl)benzamide
Alternate Name(s) N-(3',6'-dihydroxy-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]yl)benzamide N-(3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-yl)benzamide N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)benzamide N-[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]benzamide
CAS Registry Number 126219-08-7
Comments Less than 3 mono-isotopic peaks
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Formula C27H17NO6
InChI InChI=1S/C27H17NO6/c29-17-7-10-21-23(13-17)33-24-14-18(30)8-11-22(24)27(21)20-9-6-16(12-19(20)26(32)34-27)28-25(31)15-4-2-1-3-5-15/h1-14,29-30H,(H,28,31)
InChIKey SEKYDTRVGNAEDZ-UHFFFAOYSA-N
Molecular Weight 451.434 g/mol
SMILES N(C(=O)c1ccccc1)c1cc2c(C3(c4ccc(cc4Oc4c3ccc(c4)O)O)OC2=O)cc1
SPLASH splash10-0udi-0000900000-6e1da667f24fe8cf99ec
Source of Spectrum C-112-2611-5
Wiley ID 1387993