| SpectraBase Compound ID | 8gp7SQd9orP |
|---|---|
| InChI | InChI=1S/C18H36O3/c1-3-5-7-8-9-10-11-12-13-14-18(19)21-17-16-20-15-6-4-2/h3-17H2,1-2H3 |
| InChIKey | QJENVPXXRBETHA-UHFFFAOYSA-N |
| Mol Weight | 300.5 g/mol |
| Molecular Formula | C18H36O3 |
| Exact Mass | 300.266445 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G1GN5puhCb5 |
|---|---|
| Name | Dodecanoic acid, 2-butoxyethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.266445016 u |
| Formula | C18H36O3 |
| InChI | InChI=1S/C18H36O3/c1-3-5-7-8-9-10-11-12-13-14-18(19)21-17-16-20-15-6-4-2/h3-17H2,1-2H3 |
| InChIKey | QJENVPXXRBETHA-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCC(OCCOCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96532 |