| SpectraBase Compound ID | Fgzq7p1jf4O |
|---|---|
| InChI | InChI=1S/C12H23NO/c1-2-3-4-5-6-9-12(14)13-10-7-8-11-13/h2-11H2,1H3 |
| InChIKey | KXCCVGMZOHLZIW-UHFFFAOYSA-N |
| Mol Weight | 197.32 g/mol |
| Molecular Formula | C12H23NO |
| Exact Mass | 197.177964 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DPtqR8ddrD2 |
|---|---|
| Name | Octanoic acid, pyrrolidide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.177964364 u |
| Formula | C12H23NO |
| InChI | InChI=1S/C12H23NO/c1-2-3-4-5-6-9-12(14)13-10-7-8-11-13/h2-11H2,1H3 |
| InChIKey | KXCCVGMZOHLZIW-UHFFFAOYSA-N |
| Molecular Weight | 197.322 g/mol |
| SMILES | C(N1CCCC1)(CCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96334 |