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4-(5-amino-3-carbethoxy-6-keto-1,2,4-triazin-1-yl)benzoic acid
SpectraBase Compound ID Bq6WOiA33NK
InChI InChI=1S/C13H12N4O5/c1-2-22-13(21)10-15-9(14)11(18)17(16-10)8-5-3-7(4-6-8)12(19)20/h3-6H,2H2,1H3,(H,19,20)(H2,14,15,16)
InChIKey JSRKTFHQJWEAAH-UHFFFAOYSA-N
Mol Weight 304.26 g/mol
Molecular Formula C13H12N4O5
Exact Mass 304.080769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ArYSxHwpczw
Name 4-(5-amino-3-carbethoxy-6-keto-1,2,4-triazin-1-yl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N4O5
InChI InChI=1S/C13H12N4O5/c1-2-22-13(21)10-15-9(14)11(18)17(16-10)8-5-3-7(4-6-8)12(19)20/h3-6H,2H2,1H3,(H,19,20)(H2,14,15,16)
InChIKey JSRKTFHQJWEAAH-UHFFFAOYSA-N
Molecular Weight 304.262 g/mol
SMILES NC1=NC(=NN(c2ccc(C(=O)O)cc2)C1=O)C(=O)OCC
SPLASH splash10-014i-9411000000-e1a3da9953ff60f003da
Synonyms 4-(5-amino-3-ethoxycarbonyl-6-oxo-1,2,4-triazin-1-yl)benzoic acid 4-(5-azanyl-3-ethoxycarbonyl-6-oxidanylidene-1,2,4-triazin-1-yl)benzoic acid [1,2,4]Triazine-3-carboxylic acid, 5-amino-1-(4-carboxyphenyl)-6-oxo-1,6-dihydro-, ethyl ester
Wiley ID 1442060