| SpectraBase Compound ID | 8tP2PGWDCML |
|---|---|
| InChI | InChI=1S/C11H12O3/c1-2-8-14-11(13)10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| InChIKey | IUPPTESMCLXHNC-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 | CudvIRvBns5 |
|---|---|
| Name | Phenylglyoxylic acid, propyl ester |
| 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/c1-2-8-14-11(13)10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| InChIKey | IUPPTESMCLXHNC-UHFFFAOYSA-N |
| Molecular Weight | 192.214 g/mol |
| SMILES | C1=CC=CC(=C1)C(C(OCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930732 |