| SpectraBase Compound ID | 9BlA7FFCVgJ |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-3-5-15-21-17(19)13-11-9-7-6-8-10-12-16(18)20-14-4-2/h3H,1,4-15H2,2H3 |
| InChIKey | CDBXNNSSKHGMMC-UHFFFAOYSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214409 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4xRAf4JPshO |
|---|---|
| Name | Sebacic acid, but-3-enyl propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.214409442 u |
| Formula | C17H30O4 |
| InChI | InChI=1S/C17H30O4/c1-3-5-15-21-17(19)13-11-9-7-6-8-10-12-16(18)20-14-4-2/h3H,1,4-15H2,2H3 |
| InChIKey | CDBXNNSSKHGMMC-UHFFFAOYSA-N |
| SMILES | C(CCCC(OCCC=C)=O)CCCCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988143 |