| SpectraBase Compound ID | GT3eB1YczJK |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-13(2)12-20-16(18)9-8-15(17)19-11-10-14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3 |
| InChIKey | CTCLNKAKUZKSNP-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 | Ed3Yd5GiG09 |
|---|---|
| Name | Succinic acid, 2-cyclohexylethyl isobutyl 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/c1-13(2)12-20-16(18)9-8-15(17)19-11-10-14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3 |
| InChIKey | CTCLNKAKUZKSNP-UHFFFAOYSA-N |
| SMILES | CC(C)COC(CCC(OCCC1CCCCC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920863 |