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1H-pyrazole-4-carboxylic acid, 5-[(2-amino-1,2-dioxoethyl)amino]-1-phenyl-, ethyl ester

View entire compound with spectra: 2 NMR

1H-pyrazole-4-carboxylic acid, 5-[(2-amino-1,2-dioxoethyl)amino]-1-phenyl-, ethyl ester
SpectraBase Compound ID FlJFeXUn2T2
InChI InChI=1S/C14H14N4O4/c1-2-22-14(21)10-8-16-18(9-6-4-3-5-7-9)12(10)17-13(20)11(15)19/h3-8H,2H2,1H3,(H2,15,19)(H,17,20)
InChIKey CEXMJRWFZITWAB-UHFFFAOYSA-N
Mol Weight 302.29 g/mol
Molecular Formula C14H14N4O4
Exact Mass 302.101505 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4blWatjW1L9
Name 1H-Pyrazole-4-carboxylic acid, 5-[(2-amino-1,2-dioxoethyl)amino]-1-phenyl-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 302.101504943 u
Formula C14H14N4O4
InChI InChI=1S/C14H14N4O4/c1-2-22-14(21)10-8-16-18(9-6-4-3-5-7-9)12(10)17-13(20)11(15)19/h3-8H,2H2,1H3,(H2,15,19)(H,17,20)
InChIKey CEXMJRWFZITWAB-UHFFFAOYSA-N
Molecular Weight 302.290 g/mol
SMILES N(C1=C(C=NN1C=1C=CC=CC1)C(=O)OCC)C(C(=O)N)=O