| SpectraBase Compound ID | 4PdQNuxQLKf |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3 |
| InChIKey | YZJCDVRXBOPXSQ-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | acwFkKW81C |
|---|---|
| Name | Pentanoic acid, phenylmethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3 |
| InChIKey | YZJCDVRXBOPXSQ-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C1(=CC=CC=C1)COC(CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979082 |