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4H-1-Benzopyran-2-carboxylic acid, 6-nitro-4-oxo-, ethyl ester
SpectraBase Compound ID HmdbpO5knaQ
InChI InChI=1S/C12H9NO6/c1-2-18-12(15)11-6-9(14)8-5-7(13(16)17)3-4-10(8)19-11/h3-6H,2H2,1H3
InChIKey RWGUGNHDBXRLSD-UHFFFAOYSA-N
Mol Weight 263.2 g/mol
Molecular Formula C12H9NO6
Exact Mass 263.042987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4C1IWJs9srf
Name 4H-1-Benzopyran-2-carboxylic acid, 6-nitro-4-oxo-, ethyl ester
CAS Registry Number 30095-79-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9NO6
InChI InChI=1S/C12H9NO6/c1-2-18-12(15)11-6-9(14)8-5-7(13(16)17)3-4-10(8)19-11/h3-6H,2H2,1H3
InChIKey RWGUGNHDBXRLSD-UHFFFAOYSA-N
Molecular Weight 263.205 g/mol
SMILES CCOC(C1=CC(c2cc(ccc2O1)N(=O)=O)=O)=O
SPLASH splash10-014i-3970000000-0793f5f37e319bc1fe43
Source of Spectrum O-5-860-20
Synonyms Ethyl 6-nitro-4-oxo-4H-chromene-2-carboxylate 4-keto-6-nitro-chromene-2-carboxylic acid ethyl ester 6-Nitro-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester Ethyl 6-nitro-4-oxidanylidene-chromene-2-carboxylate Ethyl 6-Nitro-4-oxo chromen-2-carboxylate Ethyl 6-nitro-4-oxo-4H-1-benzopyran-2-carboxylate Ethyl 6-nitro-4-oxo-chromene-2-carboxylate BRN 1292011 EINECS 250-047-8
Wiley ID 1266696