| SpectraBase Compound ID | JehOpqQHJtU |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-4-7-11-16(6-3)15-22-18(20)13-10-9-12-17(19)21-14-8-5-2/h16H,4-15H2,1-3H3 |
| InChIKey | LLFMRSJEGLEZTJ-UHFFFAOYSA-N |
| Mol Weight | 314.5 g/mol |
| Molecular Formula | C18H34O4 |
| Exact Mass | 314.24571 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | t74diwb6kx |
|---|---|
| Name | Adipic acid, butyl 2-ethylhexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.245709571 u |
| Formula | C18H34O4 |
| InChI | InChI=1S/C18H34O4/c1-4-7-11-16(6-3)15-22-18(20)13-10-9-12-17(19)21-14-8-5-2/h16H,4-15H2,1-3H3 |
| InChIKey | LLFMRSJEGLEZTJ-UHFFFAOYSA-N |
| SMILES | C(CCCC(=O)OCC(CCCC)CC)C(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977474 |