| SpectraBase Compound ID | G7PuydvVxAx |
|---|---|
| InChI | InChI=1S/C7H9NO2/c1-2-10-7(9)6-3-5(6)4-8/h5-6H,2-3H2,1H3 |
| InChIKey | ABSAAQSCUQHJOC-UHFFFAOYSA-N |
| Mol Weight | 139.15 g/mol |
| Molecular Formula | C7H9NO2 |
| Exact Mass | 139.063329 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2hGCQ5yDnH8 |
|---|---|
| Name | 2-Cyanocyclopropanecarboxylic acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.063328532 u |
| Formula | C7H9NO2 |
| InChI | InChI=1S/C7H9NO2/c1-2-10-7(9)6-3-5(6)4-8/h5-6H,2-3H2,1H3 |
| InChIKey | ABSAAQSCUQHJOC-UHFFFAOYSA-N |
| Molecular Weight | 139.154 g/mol |
| SMILES | CCOC(C1CC1C#N)=O |
| Spectrum/Structure Validation Score (Raman) | 0.936694 |