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4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-6,8-dinitro-4-oxo-, ethyl ester
SpectraBase Compound ID 20bqfeLLkh9
InChI InChI=1S/C12H8N2O9/c1-2-22-12(17)8-4-7(15)5-3-6(13(18)19)10(16)9(14(20)21)11(5)23-8/h3-4,16H,2H2,1H3
InChIKey VWHOZHPRAFDSNM-UHFFFAOYSA-N
Mol Weight 324.2 g/mol
Molecular Formula C12H8N2O9
Exact Mass 324.02298 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5sDYKCGfmV2
Name 4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-6,8-dinitro-4-oxo-, ethyl ester
CAS Registry Number 30113-68-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8N2O9
InChI InChI=1S/C12H8N2O9/c1-2-22-12(17)8-4-7(15)5-3-6(13(18)19)10(16)9(14(20)21)11(5)23-8/h3-4,16H,2H2,1H3
InChIKey VWHOZHPRAFDSNM-UHFFFAOYSA-N
Molecular Weight 324.201 g/mol
SMILES Oc1c(cc2C(C=C(C(=O)OCC)Oc2c1N(=O)=O)=O)N(=O)=O
SPLASH splash10-0092-3193000000-39a0e78225c374eaf75c
Source of Spectrum O-5-860-13
Synonyms Ethyl 7-hydroxy-6,8-dinitro-4-oxo-4H-chromene-2-carboxylate 7-Hydroxy-4-keto-6,8-dinitro-chromene-2-carboxylic acid ethyl ester 7-Hydroxy-6,8-dinitro-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester Ethyl 6,8-dinitro-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Ethyl 7-hydroxy-6,8-dinitro-4-oxo-chromene-2-carboxylate
Wiley ID 48285