| SpectraBase Compound ID | 1OKjdXM6Uf1 |
|---|---|
| InChI | InChI=1S/C17H34O2/c1-3-5-7-8-9-10-11-12-13-14-15-17(18)19-16-6-4-2/h3-16H2,1-2H3 |
| InChIKey | HKXBPYQGPDKLHV-UHFFFAOYSA-N |
| Mol Weight | 270.5 g/mol |
| Molecular Formula | C17H34O2 |
| Exact Mass | 270.25588 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7l570JMzTv2 |
|---|---|
| Name | Tridecanoic acid, butyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.255880333 u |
| Formula | C17H34O2 |
| InChI | InChI=1S/C17H34O2/c1-3-5-7-8-9-10-11-12-13-14-15-17(18)19-16-6-4-2/h3-16H2,1-2H3 |
| InChIKey | HKXBPYQGPDKLHV-UHFFFAOYSA-N |
| Molecular Weight | 270.457 g/mol |
| SMILES | C(CCC(OCCCC)=O)CCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939255 |