| SpectraBase Compound ID | 41Mqdxz0HRe |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-4-6-11(3)16-14(15)13-9-7-12(5-2)8-10-13/h7-11H,4-6H2,1-3H3 |
| InChIKey | BXHDZHIUFGAXOF-UHFFFAOYSA-N |
| Mol Weight | 220.31 g/mol |
| Molecular Formula | C14H20O2 |
| Exact Mass | 220.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7U4IpFKIRt9 |
|---|---|
| Name | 4-Ethylbenzoic acid, 2-pentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.146329882 u |
| Formula | C14H20O2 |
| InChI | InChI=1S/C14H20O2/c1-4-6-11(3)16-14(15)13-9-7-12(5-2)8-10-13/h7-11H,4-6H2,1-3H3 |
| InChIKey | BXHDZHIUFGAXOF-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C(OC(C=1C=CC(=CC1)CC)=O)(C)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906801 |