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[5-[(Furan-2-carbonyl)amino]-3-methylpyrazol-1-yl]acetic acid, ethyl ester
SpectraBase Compound ID ClsC1gd8ZMI
InChI InChI=1S/C13H15N3O4/c1-3-19-12(17)8-16-11(7-9(2)15-16)14-13(18)10-5-4-6-20-10/h4-7H,3,8H2,1-2H3,(H,14,18)
InChIKey DNQDSYZXFGPEFA-UHFFFAOYSA-N
Mol Weight 277.28 g/mol
Molecular Formula C13H15N3O4
Exact Mass 277.106256 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5UDrs1ncHF9
Name [5-[(Furan-2-carbonyl)amino]-3-methylpyrazol-1-yl]acetic acid, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 277.106255971 u
Formula C13H15N3O4
InChI InChI=1S/C13H15N3O4/c1-3-19-12(17)8-16-11(7-9(2)15-16)14-13(18)10-5-4-6-20-10/h4-7H,3,8H2,1-2H3,(H,14,18)
InChIKey DNQDSYZXFGPEFA-UHFFFAOYSA-N
Molecular Weight 277.280 g/mol
SMILES C=1C(=NN(C1NC(=O)C1=CC=CO1)CC(OCC)=O)C