| SpectraBase Compound ID | 27u6fag2Hyi |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-3-5-7-10-14-20-16(18)12-9-8-11-15(17)19-13-6-4-2/h5,7H,3-4,6,8-14H2,1-2H3/b7-5+ |
| InChIKey | FLGBBJGLHAFCQK-FNORWQNLSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ACO8sZhTFj3 |
|---|---|
| Name | Adipic acid, butyl trans-hex-3-enyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.198759378 u |
| Formula | C16H28O4 |
| InChI | InChI=1S/C16H28O4/c1-3-5-7-10-14-20-16(18)12-9-8-11-15(17)19-13-6-4-2/h5,7H,3-4,6,8-14H2,1-2H3/b7-5+ |
| InChIKey | FLGBBJGLHAFCQK-FNORWQNLSA-N |
| SMILES | C(CCCC(OCC\C=C\CC)=O)C(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968269 |