| SpectraBase Compound ID | 2ZPuljdkUin |
|---|---|
| InChI | InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-17(18)19-15-16(2)3/h16H,4-15H2,1-3H3 |
| InChIKey | DBSNEMMWHLXCPX-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 | LBjHBlETuao |
|---|---|
| Name | Tridecanoic acid, isobutyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-17(18)19-15-16(2)3/h16H,4-15H2,1-3H3 |
| InChIKey | DBSNEMMWHLXCPX-UHFFFAOYSA-N |
| Molecular Weight | 270.457 g/mol |
| SMILES | C(CCC(OCC(C)C)=O)CCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965041 |