| SpectraBase Compound ID | CQdXIhyioOL |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-4-5-6-7-8-12-19-15(17)9-10-16(18)20-13-11-14(2)3/h2,4-13H2,1,3H3 |
| InChIKey | HCIVMORMCHWWNB-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 | J16iAMr5uYf |
|---|---|
| Name | Succinic acid, heptyl 3-methylbut-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/c1-4-5-6-7-8-12-19-15(17)9-10-16(18)20-13-11-14(2)3/h2,4-13H2,1,3H3 |
| InChIKey | HCIVMORMCHWWNB-UHFFFAOYSA-N |
| SMILES | CC(=C)CCOC(CCC(OCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.8805 |