| SpectraBase Compound ID | DA973l7QpbV |
|---|---|
| InChI | InChI=1S/C16H30O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h15H,1-14H2,(H,17,18) |
| InChIKey | NYPUDXUXLBGPAZ-UHFFFAOYSA-N |
| Mol Weight | 254.41 g/mol |
| Molecular Formula | C16H30O2 |
| Exact Mass | 254.22458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Kfyz8lx8353 |
|---|---|
| Name | Cyclopentaneundecanoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.224580204 u |
| Formula | C16H30O2 |
| InChI | InChI=1S/C16H30O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h15H,1-14H2,(H,17,18) |
| InChIKey | NYPUDXUXLBGPAZ-UHFFFAOYSA-N |
| Molecular Weight | 254.414 g/mol |
| SMILES | C(CC1CCCC1)CCCCCCCCC(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898091 |