| SpectraBase Compound ID | GZYCdWdWBsw |
|---|---|
| InChI | InChI=1S/C17H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-19-17(18)15-16(2)3/h15H,4-14H2,1-3H3 |
| InChIKey | PKWFSZITQCLHED-UHFFFAOYSA-N |
| Mol Weight | 268.4 g/mol |
| Molecular Formula | C17H32O2 |
| Exact Mass | 268.24023 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5FPcA2lBtif |
|---|---|
| Name | 3-Methyl-2-butenoic acid, dodecyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.240230268 u |
| Formula | C17H32O2 |
| InChI | InChI=1S/C17H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-19-17(18)15-16(2)3/h15H,4-14H2,1-3H3 |
| InChIKey | PKWFSZITQCLHED-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCOC(=O)C=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947026 |