| SpectraBase Compound ID | 6QplJV8bDzA |
|---|---|
| InChI | InChI=1S/C17H33NO/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)18-15-12-13-16-18/h2-16H2,1H3 |
| InChIKey | MMVXEDLBCRDEAG-UHFFFAOYSA-N |
| Mol Weight | 267.5 g/mol |
| Molecular Formula | C17H33NO |
| Exact Mass | 267.256215 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1yOiEr51eZ0 |
|---|---|
| Name | Tridecanoic acid, pyrrolidide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.256214686 u |
| Formula | C17H33NO |
| InChI | InChI=1S/C17H33NO/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)18-15-12-13-16-18/h2-16H2,1H3 |
| InChIKey | MMVXEDLBCRDEAG-UHFFFAOYSA-N |
| Molecular Weight | 267.457 g/mol |
| SMILES | C(N1CCCC1)(CCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.842876 |