| SpectraBase Compound ID | D5hmgIq5CKS |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-3-13-9-5-6-10-14(13)20-16(18)12-8-7-11-15(17)19-4-2/h13-14H,3-12H2,1-2H3 |
| InChIKey | XRHOLGYRFXCQSI-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 | 7zhqmBoeT9N |
|---|---|
| Name | Adipic acid, ethyl 2-ethylcyclohexyl 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/c1-3-13-9-5-6-10-14(13)20-16(18)12-8-7-11-15(17)19-4-2/h13-14H,3-12H2,1-2H3 |
| InChIKey | XRHOLGYRFXCQSI-UHFFFAOYSA-N |
| SMILES | C(CCCCC(=O)OC1C(CC)CCCC1)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926359 |