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4H-1-Benzopyran-2-carboxylic acid, 6-amino-4-oxo-, ethyl ester
SpectraBase Compound ID LYQDsWBgCAd
InChI InChI=1S/C12H11NO4/c1-2-16-12(15)11-6-9(14)8-5-7(13)3-4-10(8)17-11/h3-6H,2,13H2,1H3
InChIKey XSTYSJKKDXUYRM-UHFFFAOYSA-N
Mol Weight 233.22 g/mol
Molecular Formula C12H11NO4
Exact Mass 233.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5ZfEEQQvJV
Name 4H-1-Benzopyran-2-carboxylic acid, 6-amino-4-oxo-, ethyl ester
Alternate Name(s) Ethyl 6-amino-4-oxo-4H-chromene-2-carboxylate 6-Amino-4-keto-chromene-2-carboxylic acid ethyl ester 6-Amino-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester 6-Amino-4-oxochromen-2-carboxylate Ethyl 6-amino-4-oxo-chromene-2-carboxylate Ethyl 6-azanyl-4-oxidanylidene-chromene-2-carboxylate
CAS Registry Number 30095-81-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO4
InChI InChI=1S/C12H11NO4/c1-2-16-12(15)11-6-9(14)8-5-7(13)3-4-10(8)17-11/h3-6H,2,13H2,1H3
InChIKey XSTYSJKKDXUYRM-UHFFFAOYSA-N
Molecular Weight 233.223 g/mol
SMILES Nc1ccc2c(c1)C(C=C(C(=O)OCC)O2)=O
SPLASH splash10-053r-0190000000-c42caef6bfac3cdd15b4
Source of Spectrum O-5-860-21
Wiley ID 1234785