| SpectraBase Compound ID | 4xzMmzp1eQ4 |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-2-3-8-13-19-15(17)11-12-16(18)20-14-9-6-4-5-7-10-14/h14H,2-13H2,1H3 |
| InChIKey | QQXCXJGLVGHBFC-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 | 4pNJQG0wCac |
|---|---|
| Name | Succinic acid, cycloheptyl pentyl 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/c1-2-3-8-13-19-15(17)11-12-16(18)20-14-9-6-4-5-7-10-14/h14H,2-13H2,1H3 |
| InChIKey | QQXCXJGLVGHBFC-UHFFFAOYSA-N |
| SMILES | CCCCCOC(CCC(OC1CCCCCC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903863 |