| SpectraBase Compound ID | EBNDsvbSGlF |
|---|---|
| InChI | InChI=1S/C12H14O3/c1-3-9(2)15-12(14)11(13)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3 |
| InChIKey | FJHXBAUCBODMOC-UHFFFAOYSA-N |
| Mol Weight | 206.24 g/mol |
| Molecular Formula | C12H14O3 |
| Exact Mass | 206.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IBVbhR7WBxj |
|---|---|
| Name | Phenylglyoxylic acid, 2-butyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.094294308 u |
| Formula | C12H14O3 |
| InChI | InChI=1S/C12H14O3/c1-3-9(2)15-12(14)11(13)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3 |
| InChIKey | FJHXBAUCBODMOC-UHFFFAOYSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | C1=CC=CC(=C1)C(C(OC(CC)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.990732 |