| SpectraBase Compound ID | ARecIGzaG16 |
|---|---|
| InChI | InChI=1S/C17H34O2/c1-3-5-7-9-10-11-12-13-15-17(18)19-16-14-8-6-4-2/h3-16H2,1-2H3 |
| InChIKey | KZNVUDWSXYNJGE-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 | 99hUGCLX6FI |
|---|---|
| Name | Undecanoic acid, hexyl 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/c1-3-5-7-9-10-11-12-13-15-17(18)19-16-14-8-6-4-2/h3-16H2,1-2H3 |
| InChIKey | KZNVUDWSXYNJGE-UHFFFAOYSA-N |
| Molecular Weight | 270.457 g/mol |
| SMILES | C(C(=O)OCCCCCC)CCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931293 |