| SpectraBase Compound ID | 6fyLmQQ6oWk |
|---|---|
| InChI | InChI=1S/C14H26O4/c1-3-5-8-12-18-14(16)10-7-6-9-13(15)17-11-4-2/h3-12H2,1-2H3 |
| InChIKey | MRERFIJVPRVRLZ-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 | 9WDlnjrmhH8 |
|---|---|
| Name | Adipic acid, 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/c1-3-5-8-12-18-14(16)10-7-6-9-13(15)17-11-4-2/h3-12H2,1-2H3 |
| InChIKey | MRERFIJVPRVRLZ-UHFFFAOYSA-N |
| Molecular Weight | 258.358 g/mol |
| SMILES | C(CCC(=O)OCCCCC)CC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954224 |