| SpectraBase Compound ID | KrfOhUNjfPD |
|---|---|
| InChI | InChI=1S/C18H36O3/c1-4-5-6-7-8-9-10-11-12-13-18(19)21-16-17(2)14-15-20-3/h17H,4-16H2,1-3H3 |
| InChIKey | ZGVULAWWXXRQCZ-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 | C886SYbpYMo |
|---|---|
| Name | Dodecanoic acid, 4-methoxy-2-methylbutyl 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/c1-4-5-6-7-8-9-10-11-12-13-18(19)21-16-17(2)14-15-20-3/h17H,4-16H2,1-3H3 |
| InChIKey | ZGVULAWWXXRQCZ-UHFFFAOYSA-N |
| SMILES | COCCC(COC(CCCCCCCCCCC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970366 |