| SpectraBase Compound ID | L8K7DBwsK7i |
|---|---|
| InChI | InChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-16-18(4-2)21-19(20)17-14-12-13-15-17/h17-18H,3-16H2,1-2H3 |
| InChIKey | WUZJSOSBTJTIKL-UHFFFAOYSA-N |
| Mol Weight | 296.5 g/mol |
| Molecular Formula | C19H36O2 |
| Exact Mass | 296.27153 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Kex9q9t3jSJ |
|---|---|
| Name | Cyclopentanecarboxylic acid, 3-tridecyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.271530397 u |
| Formula | C19H36O2 |
| InChI | InChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-16-18(4-2)21-19(20)17-14-12-13-15-17/h17-18H,3-16H2,1-2H3 |
| InChIKey | WUZJSOSBTJTIKL-UHFFFAOYSA-N |
| SMILES | CCC(OC(=O)C1CCCC1)CCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913913 |