| SpectraBase Compound ID | 5vbeGoopXQ2 |
|---|---|
| InChI | InChI=1S/C9H11NO2/c1-2-12-8(11)9(7-10)5-3-4-6-9/h3-4H,2,5-6H2,1H3 |
| InChIKey | RDIIJCALQSVZDW-UHFFFAOYSA-N |
| Mol Weight | 165.19 g/mol |
| Molecular Formula | C9H11NO2 |
| Exact Mass | 165.078979 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9DdBvqTj11r |
|---|---|
| Name | 3-Cyclopentene-1-carboxylic acid, 1-cyano-, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.078978596 u |
| Formula | C9H11NO2 |
| InChI | InChI=1S/C9H11NO2/c1-2-12-8(11)9(7-10)5-3-4-6-9/h3-4H,2,5-6H2,1H3 |
| InChIKey | RDIIJCALQSVZDW-UHFFFAOYSA-N |
| Molecular Weight | 165.192 g/mol |
| SMILES | C1C=CCC1(C#N)C(OCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.931302 |