| SpectraBase Compound ID | 3ltEB1e6oNs |
|---|---|
| InChI | InChI=1S/C10H12O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h3-8H,1-2H3 |
| InChIKey | PIZOACXKIKXRDJ-UHFFFAOYSA-N |
| Mol Weight | 164.2 g/mol |
| Molecular Formula | C10H12O2 |
| Exact Mass | 164.08373 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IlRF4rgZYQ6 |
|---|---|
| Name | Isobutyric acid, phenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.083729624 u |
| Formula | C10H12O2 |
| InChI | InChI=1S/C10H12O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h3-8H,1-2H3 |
| InChIKey | PIZOACXKIKXRDJ-UHFFFAOYSA-N |
| Molecular Weight | 164.204 g/mol |
| SMILES | C=1C(=CC=CC1)OC(C(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.803351 |