| SpectraBase Compound ID | H5W6yk4JNGF |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-4-6-8-10-14(3)20-16(18)12-11-15(17)19-13-9-7-5-2/h5,14H,2,4,6-13H2,1,3H3 |
| InChIKey | FWZGXIBOKZLWRD-UHFFFAOYSA-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 | uEm9grfkgS |
|---|---|
| Name | Succinic acid, hept-2-yl pent-4-en-1-yl 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/c1-4-6-8-10-14(3)20-16(18)12-11-15(17)19-13-9-7-5-2/h5,14H,2,4,6-13H2,1,3H3 |
| InChIKey | FWZGXIBOKZLWRD-UHFFFAOYSA-N |
| SMILES | C(CC(OC(C)CCCCC)=O)C(OCCCC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.907972 |