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Ethyl 5-amino-6(1H)-oxo-1-p-tolyl-1,2,4-triazine-3-carboxylate

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

Ethyl 5-amino-6(1H)-oxo-1-p-tolyl-1,2,4-triazine-3-carboxylate
SpectraBase Compound ID AmarfzbZ8BK
InChI InChI=1S/C13H14N4O3/c1-3-20-13(19)11-15-10(14)12(18)17(16-11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,14,15,16)
InChIKey SMARVRHXKDJPOJ-UHFFFAOYSA-N
Mol Weight 274.28 g/mol
Molecular Formula C13H14N4O3
Exact Mass 274.10659 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fdyh5lJwlKB
Name Ethyl 5-amino-6(1H)-oxo-1-p-tolyl-1,2,4-triazine-3-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.106590324 u
Formula C13H14N4O3
InChI InChI=1S/C13H14N4O3/c1-3-20-13(19)11-15-10(14)12(18)17(16-11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,14,15,16)
InChIKey SMARVRHXKDJPOJ-UHFFFAOYSA-N
Molecular Weight 274.280 g/mol
SMILES C1(=NN(C=2C=CC(C)=CC2)C(C(=N1)N)=O)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.874891