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4H-1-Benzopyran-4-one, 3-(2,4-dinitrophenyl)-5-hydroxy-6,7-dimethoxy-2-methyl-
SpectraBase Compound ID 1BRRrfdoRRZ
InChI InChI=1S/C18H14N2O9/c1-8-14(10-5-4-9(19(23)24)6-11(10)20(25)26)16(21)15-12(29-8)7-13(27-2)18(28-3)17(15)22/h4-7,22H,1-3H3
InChIKey TXHYROXEGUMACT-UHFFFAOYSA-N
Mol Weight 402.32 g/mol
Molecular Formula C18H14N2O9
Exact Mass 402.06993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LxHLdcR5thZ
Name 4H-1-Benzopyran-4-one, 3-(2,4-dinitrophenyl)-5-hydroxy-6,7-dimethoxy-2-methyl-
CAS Registry Number 62995-19-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14N2O9
InChI InChI=1S/C18H14N2O9/c1-8-14(10-5-4-9(19(23)24)6-11(10)20(25)26)16(21)15-12(29-8)7-13(27-2)18(28-3)17(15)22/h4-7,22H,1-3H3
InChIKey TXHYROXEGUMACT-UHFFFAOYSA-N
Molecular Weight 402.315 g/mol
SMILES Oc1c2C(C(c3c(N(=O)=O)cc(N(=O)=O)cc3)=C(Oc2cc(OC)c1OC)C)=O
SPLASH splash10-0udi-0017900000-d71387ebb319843f068a
Source of Spectrum KC-1977-436-0
Synonyms 3-(2,4-dinitrophenyl)-5-hydroxy-6,7-dimethoxy-2-methyl-4H-chromen-4-one 3-(2,4-dinitrophenyl)-5-hydroxy-6,7-dimethoxy-2-methyl-1-benzopyran-4-one 3-(2,4-dinitrophenyl)-5-hydroxy-6,7-dimethoxy-2-methylchromen-4-one 3-(2,4-dinitrophenyl)-5-hydroxy-6,7-dimethoxy-2-methyl-chromen-4-one 3-(2,4-dinitrophenyl)-6,7-dimethoxy-2-methyl-5-oxidanyl-chromen-4-one
Wiley ID 1370192