| SpectraBase Compound ID | CDdafOpLQgB |
|---|---|
| InChI | InChI=1S/C11H10O4/c1-15-11(14)10(13)7-9(12)8-5-3-2-4-6-8/h2-6H,7H2,1H3 |
| InChIKey | AQYAHPDSJAFBOS-UHFFFAOYSA-N |
| Mol Weight | 206.2 g/mol |
| Molecular Formula | C11H10O4 |
| Exact Mass | 206.057909 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FE2BJEp3kcF |
|---|---|
| Name | Benzoylpyruvic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.057908798 u |
| Formula | C11H10O4 |
| InChI | InChI=1S/C11H10O4/c1-15-11(14)10(13)7-9(12)8-5-3-2-4-6-8/h2-6H,7H2,1H3 |
| InChIKey | AQYAHPDSJAFBOS-UHFFFAOYSA-N |
| Molecular Weight | 206.197 g/mol |
| SMILES | C=1C(=CC=CC1)C(CC(C(OC)=O)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.9607 |