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4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-6-nitro-4-oxo-, ethyl ester
SpectraBase Compound ID 4ZmAOW7K06d
InChI InChI=1S/C12H9NO7/c1-2-19-12(16)11-4-8(14)6-3-7(13(17)18)9(15)5-10(6)20-11/h3-5,15H,2H2,1H3
InChIKey JHIBAEGPWZJAPP-UHFFFAOYSA-N
Mol Weight 279.2 g/mol
Molecular Formula C12H9NO7
Exact Mass 279.037902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VDA6Vpf0F6
Name 4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-6-nitro-4-oxo-, ethyl ester
CAS Registry Number 5823-37-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9NO7
InChI InChI=1S/C12H9NO7/c1-2-19-12(16)11-4-8(14)6-3-7(13(17)18)9(15)5-10(6)20-11/h3-5,15H,2H2,1H3
InChIKey JHIBAEGPWZJAPP-UHFFFAOYSA-N
Molecular Weight 279.204 g/mol
SMILES Oc1c([N+]([O-])=O)cc2c(OC(=CC2=O)C(=O)OCC)c1
SPLASH splash10-004i-1190000000-de2752676b8c7ecda802
Source of Spectrum O-5-860-14
Synonyms Ethyl 7-hydroxy-6-nitro-4-oxo-4H-chromene-2-carboxylate 6-Nitro-7-hydroxy-2-carboethoxychromone Ethyl 4-hydroxy-6-nitro-7-oxo-7H-chromene-2-carboxylate
Wiley ID 1282754