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4H-1-Benzopyran-2-carboxylic acid, 6-hydroxy-5-nitro-4-oxo-, ethyl ester
SpectraBase Compound ID 87mIAHFiqsI
InChI InChI=1S/C12H9NO7/c1-2-19-12(16)9-5-7(15)10-8(20-9)4-3-6(14)11(10)13(17)18/h3-5,14H,2H2,1H3
InChIKey XWHOJIYOOGDUMX-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 IfPZoMqnOb2
Name 4H-1-Benzopyran-2-carboxylic acid, 6-hydroxy-5-nitro-4-oxo-, ethyl ester
Alternate Name(s) Ethyl 6-hydroxy-5-nitro-4-oxo-4H-chromene-2-carboxylate 6-Hydroxy-4-keto-5-nitro-chromene-2-carboxylic acid ethyl ester 6-Hydroxy-5-nitro-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester Ethyl 5-nitro-6-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Ethyl 6-hydroxy-5-nitro-4-oxo-chromene-2-carboxylate
CAS Registry Number 30095-84-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9NO7
InChI InChI=1S/C12H9NO7/c1-2-19-12(16)9-5-7(15)10-8(20-9)4-3-6(14)11(10)13(17)18/h3-5,14H,2H2,1H3
InChIKey XWHOJIYOOGDUMX-UHFFFAOYSA-N
Molecular Weight 279.204 g/mol
SMILES Oc1ccc2c(C(C=C(C(=O)OCC)O2)=O)c1N(=O)=O
SPLASH splash10-004i-0190000000-59f919c8a7152d9487f0
Source of Spectrum O-5-8607-0
Wiley ID 1282752