| SpectraBase Compound ID | 4GTkgaqJqVJ |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-3-14(4-2)20-16(18)11-10-15(17)19-12-13-8-6-5-7-9-13/h13-14H,3-12H2,1-2H3 |
| InChIKey | VBLDGKNXOUKWNU-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 | 9MtZiDyW3qC |
|---|---|
| Name | Succinic acid, cyclohexylmethyl 3-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/c1-3-14(4-2)20-16(18)11-10-15(17)19-12-13-8-6-5-7-9-13/h13-14H,3-12H2,1-2H3 |
| InChIKey | VBLDGKNXOUKWNU-UHFFFAOYSA-N |
| SMILES | C1CCC(CC1)COC(=O)CCC(OC(CC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.86038 |