![2-Cyano-3-[(3-methylpyrazol-5-yl)amino]acrylic acid, ethyl ester](/api/spectrum/AvkQnt6m1AU/structure.png?h=300&w=458 "2-Cyano-3-[(3-methylpyrazol-5-yl)amino]acrylic acid, ethyl ester")
| SpectraBase Compound ID | BRcKLP61tr1 |
|---|---|
| InChI | InChI=1S/C10H12N4O2/c1-3-16-10(15)8(5-11)6-12-9-4-7(2)13-14-9/h4,6H,3H2,1-2H3,(H2,12,13,14) |
| InChIKey | POLFOLNFPCLWHI-UHFFFAOYSA-N |
| Mol Weight | 220.23 g/mol |
| Molecular Formula | C10H12N4O2 |
| Exact Mass | 220.096026 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AvkQnt6m1AU |
|---|---|
| Name | 2-Cyano-3-[(3-methylpyrazol-5-yl)amino]acrylic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.096025640 u |
| Formula | C10H12N4O2 |
| InChI | InChI=1S/C10H12N4O2/c1-3-16-10(15)8(5-11)6-12-9-4-7(2)13-14-9/h4,6H,3H2,1-2H3,(H2,12,13,14) |
| InChIKey | POLFOLNFPCLWHI-UHFFFAOYSA-N |
| Molecular Weight | 220.232 g/mol |
| SMILES | N(C=C(C(OCC)=O)C#N)C1=CC(=NN1)C |