| SpectraBase Compound ID | JXg1n5MCMza |
|---|---|
| InChI | InChI=1S/C14H26O4/c1-4-6-9-12(3)18-14(16)11-8-7-10-13(15)17-5-2/h12H,4-11H2,1-3H3 |
| InChIKey | VCRXKZOSCRRNJI-UHFFFAOYSA-N |
| Mol Weight | 258.36 g/mol |
| Molecular Formula | C14H26O4 |
| Exact Mass | 258.183109 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8z0b4zMwSdv |
|---|---|
| Name | Adipic acid, ethyl 2-hexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.183109313 u |
| Formula | C14H26O4 |
| InChI | InChI=1S/C14H26O4/c1-4-6-9-12(3)18-14(16)11-8-7-10-13(15)17-5-2/h12H,4-11H2,1-3H3 |
| InChIKey | VCRXKZOSCRRNJI-UHFFFAOYSA-N |
| Molecular Weight | 258.358 g/mol |
| SMILES | C(C(OC(C)CCCC)=O)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.80811 |