| SpectraBase Compound ID | 81jqKWe4RgH |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 |
| InChIKey | MVIMPQVBUPCHEV-UHFFFAOYSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5tkIZo2JfXn |
|---|---|
| Name | Pentanoic acid, phenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.099379689 u |
| Formula | C11H14O2 |
| InChI | InChI=1S/C11H14O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 |
| InChIKey | MVIMPQVBUPCHEV-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C(C(OC1=CC=CC=C1)=O)CCC |
| Spectrum/Structure Validation Score (Raman) | 0.941448 |