| SpectraBase Compound ID | 4jptsZriBAS |
|---|---|
| InChI | InChI=1S/C9H13NO2/c1-2-12-8(11)9(7-10)5-3-4-6-9/h2-6H2,1H3 |
| InChIKey | VPWIERPHIAKPOH-UHFFFAOYSA-N |
| Mol Weight | 167.21 g/mol |
| Molecular Formula | C9H13NO2 |
| Exact Mass | 167.094629 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | cLuIXjTph3 |
|---|---|
| Name | 1-Cyanocyclopentanecarboxylic acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.094628661 u |
| Formula | C9H13NO2 |
| InChI | InChI=1S/C9H13NO2/c1-2-12-8(11)9(7-10)5-3-4-6-9/h2-6H2,1H3 |
| InChIKey | VPWIERPHIAKPOH-UHFFFAOYSA-N |
| Molecular Weight | 167.208 g/mol |
| SMILES | C1CCC(C1)(C(OCC)=O)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.869661 |