| SpectraBase Compound ID | 1EHST5TZglA |
|---|---|
| InChI | InChI=1S/C14H26O4/c1-4-11-17-13(15)9-7-8-10-14(16)18-12(5-2)6-3/h12H,4-11H2,1-3H3 |
| InChIKey | IARZXNAFECXHQP-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 | BpsEh6dbaZu |
|---|---|
| Name | Adipic acid, 3-pentyl propyl 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/c1-4-11-17-13(15)9-7-8-10-14(16)18-12(5-2)6-3/h12H,4-11H2,1-3H3 |
| InChIKey | IARZXNAFECXHQP-UHFFFAOYSA-N |
| Molecular Weight | 258.358 g/mol |
| SMILES | C(CC(=O)OC(CC)CC)CCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97368 |