| SpectraBase Compound ID | AkfZT8Uedua |
|---|---|
| InChI | InChI=1S/C12H12N2O4/c1-2-18-12(15)10(8-13)6-9-4-3-5-11(7-9)14(16)17/h3-5,7,10H,2,6H2,1H3 |
| InChIKey | FCWZULBTRPVZAV-UHFFFAOYSA-N |
| Mol Weight | 248.24 g/mol |
| Molecular Formula | C12H12N2O4 |
| Exact Mass | 248.079707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9VNovbooXYk |
|---|---|
| Name | alpha-Cyano-m-nitrohydrocinnamic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.079706870 u |
| Formula | C12H12N2O4 |
| InChI | InChI=1S/C12H12N2O4/c1-2-18-12(15)10(8-13)6-9-4-3-5-11(7-9)14(16)17/h3-5,7,10H,2,6H2,1H3 |
| InChIKey | FCWZULBTRPVZAV-UHFFFAOYSA-N |
| Molecular Weight | 248.238 g/mol |
| SMILES | N(=O)(=O)C=1C=CC=C(C1)CC(C(OCC)=O)C#N |