| SpectraBase Compound ID | JehZizsQFHL |
|---|---|
| InChI | InChI=1S/C13H14N2O4/c1-17-10-6-12(19-3)11(18-2)5-8(10)4-9(7-14)13(15)16/h4-6H,1-3H3,(H2,15,16) |
| InChIKey | HPKSRRZUHXFSSN-UHFFFAOYSA-N |
| Mol Weight | 262.26 g/mol |
| Molecular Formula | C13H14N2O4 |
| Exact Mass | 262.095357 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CJM5vqUvUcw |
|---|---|
| Name | alpha-Cyano-2,4,5-trimethoxycinnamamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.095356935 u |
| Formula | C13H14N2O4 |
| InChI | InChI=1S/C13H14N2O4/c1-17-10-6-12(19-3)11(18-2)5-8(10)4-9(7-14)13(15)16/h4-6H,1-3H3,(H2,15,16) |
| InChIKey | HPKSRRZUHXFSSN-UHFFFAOYSA-N |
| SMILES | NC(=O)C(C#N)=CC1=CC(=C(C=C1OC)OC)OC |
| Spectrum/Structure Validation Score (Raman) | 0.947051 |