| SpectraBase Compound ID | JBUGTIBs1ed |
|---|---|
| InChI | InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-12-17-21-19(20)16-15-18-13-10-11-14-18/h18H,2-17H2,1H3 |
| InChIKey | PCABZFXNXVVEDP-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 | 57Zp2dtuvsr |
|---|---|
| Name | 3-Cyclopentylpropionic acid, undecyl 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/c1-2-3-4-5-6-7-8-9-12-17-21-19(20)16-15-18-13-10-11-14-18/h18H,2-17H2,1H3 |
| InChIKey | PCABZFXNXVVEDP-UHFFFAOYSA-N |
| SMILES | C(OCCCCCCCCCCC)(=O)CCC1CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.812964 |