| SpectraBase Compound ID | JP1Vq3yvjcS |
|---|---|
| InChI | InChI=1S/C18H35NO/c1-17(2)13-9-7-5-3-4-6-8-10-14-18(20)19-15-11-12-16-19/h17H,3-16H2,1-2H3 |
| InChIKey | CEYJAVILFLAJKA-UHFFFAOYSA-N |
| Mol Weight | 281.5 g/mol |
| Molecular Formula | C18H35NO |
| Exact Mass | 281.271865 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7OC7ZaN9rep |
|---|---|
| Name | 12-Methyltridecanoic acid, pyrrolidide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.271864750 u |
| Formula | C18H35NO |
| InChI | InChI=1S/C18H35NO/c1-17(2)13-9-7-5-3-4-6-8-10-14-18(20)19-15-11-12-16-19/h17H,3-16H2,1-2H3 |
| InChIKey | CEYJAVILFLAJKA-UHFFFAOYSA-N |
| SMILES | C(N1CCCC1)(CCCCCCCCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844971 |