| SpectraBase Compound ID | HgmX2WetmO7 |
|---|---|
| InChI | InChI=1S/C13H10N2O2/c1-2-17-13(16)12(9-15)7-10-4-3-5-11(6-10)8-14/h3-7H,2H2,1H3/b12-7+ |
| InChIKey | IUQFOTOMLHSZIN-KPKJPENVSA-N |
| Mol Weight | 226.23 g/mol |
| Molecular Formula | C13H10N2O2 |
| Exact Mass | 226.074228 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IE9QGwhZNn2 |
|---|---|
| Name | 2-Propenoic acid, 2-cyano-3-(3-cyanophenyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.074227568 u |
| Formula | C13H10N2O2 |
| InChI | InChI=1S/C13H10N2O2/c1-2-17-13(16)12(9-15)7-10-4-3-5-11(6-10)8-14/h3-7H,2H2,1H3/b12-7+ |
| InChIKey | IUQFOTOMLHSZIN-KPKJPENVSA-N |
| Molecular Weight | 226.235 g/mol |
| SMILES | C1(=CC(=CC=C1)\C=C/(C#N)C(OCC)=O)C#N |