| SpectraBase Compound ID | IWUukhTKfVc |
|---|---|
| InChI | InChI=1S/C12H23NO/c1-4-10(2)9-11(3)12(14)13-7-5-6-8-13/h10-11H,4-9H2,1-3H3 |
| InChIKey | MUNDEDQAWPQSLI-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 | 85yAQ2gAoJQ |
|---|---|
| Name | N-2,4-Dimethylhexanoyl pyrrolidine |
| 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/c1-4-10(2)9-11(3)12(14)13-7-5-6-8-13/h10-11H,4-9H2,1-3H3 |
| InChIKey | MUNDEDQAWPQSLI-UHFFFAOYSA-N |
| Molecular Weight | 197.322 g/mol |
| SMILES | C(N1CCCC1)(C(CC(CC)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899953 |