| SpectraBase Compound ID | IRgfdDPxRqV |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-3-5-6-7-8-9-12-15-21-17(19)14-11-10-13-16(18)20-4-2/h8-9H,3-7,10-15H2,1-2H3/b9-8- |
| InChIKey | UBQKAVZEPNGVKN-HJWRWDBZSA-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 | 5mbjYjDr74Y |
|---|---|
| Name | Adipic acid, cis-non-3-enyl ethyl 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/c1-3-5-6-7-8-9-12-15-21-17(19)14-11-10-13-16(18)20-4-2/h8-9H,3-7,10-15H2,1-2H3/b9-8- |
| InChIKey | UBQKAVZEPNGVKN-HJWRWDBZSA-N |
| SMILES | C(CCCC(OCC\C=C/CCCCC)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940324 |