| SpectraBase Compound ID | KdGNftZwy9t |
|---|---|
| InChI | InChI=1S/C13H13NO4/c1-2-16-13(15)10(7-14)5-9-3-4-11-12(6-9)18-8-17-11/h3-4,6,10H,2,5,8H2,1H3 |
| InChIKey | NQHNSNBFBXZMRT-UHFFFAOYSA-N |
| Mol Weight | 247.25 g/mol |
| Molecular Formula | C13H13NO4 |
| Exact Mass | 247.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LRez0aMNbWv |
|---|---|
| Name | Ehtyl piperonylcyanoacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.084457899 u |
| Formula | C13H13NO4 |
| InChI | InChI=1S/C13H13NO4/c1-2-16-13(15)10(7-14)5-9-3-4-11-12(6-9)18-8-17-11/h3-4,6,10H,2,5,8H2,1H3 |
| InChIKey | NQHNSNBFBXZMRT-UHFFFAOYSA-N |
| Molecular Weight | 247.250 g/mol |
| SMILES | C1=C(CC(C#N)C(OCC)=O)C=CC2=C1OCO2 |