| SpectraBase Compound ID | vpgE567LCA |
|---|---|
| InChI | InChI=1S/C11H12O3/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| InChIKey | DMZGURNRYOUAGC-UHFFFAOYSA-N |
| Mol Weight | 192.21 g/mol |
| Molecular Formula | C11H12O3 |
| Exact Mass | 192.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4QGNTqLUB2e |
|---|---|
| Name | Methyl 2-oxo-4-phenylbutanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.078644243 u |
| Formula | C11H12O3 |
| InChI | InChI=1S/C11H12O3/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| InChIKey | DMZGURNRYOUAGC-UHFFFAOYSA-N |
| Molecular Weight | 192.214 g/mol |
| SMILES | C(C(CCC1=CC=CC=C1)=O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976857 |