| SpectraBase Compound ID | BeqkGiFJXD2 |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-3-5-6-9-12-20-16(18)14-11-8-7-10-13(14)15(17)19-4-2/h13-14H,3-12H2,1-2H3 |
| InChIKey | DNFPNUCSOCQYSZ-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 | 2iJnN4TZwiv |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, ethyl hexyl 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/c1-3-5-6-9-12-20-16(18)14-11-8-7-10-13(14)15(17)19-4-2/h13-14H,3-12H2,1-2H3 |
| InChIKey | DNFPNUCSOCQYSZ-UHFFFAOYSA-N |
| SMILES | C(C1CCCCC1C(OCCCCCC)=O)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963503 |