| SpectraBase Compound ID | 9G2NVMwOQHY |
|---|---|
| InChI | InChI=1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3 |
| InChIKey | ITATYELQCJRCCK-UHFFFAOYSA-N |
| Mol Weight | 166.18 g/mol |
| Molecular Formula | C9H10O3 |
| Exact Mass | 166.062994 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6908EAQvzqr |
|---|---|
| Name | D,L-Mandelic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.062994179 u |
| Formula | C9H10O3 |
| InChI | InChI=1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3 |
| InChIKey | ITATYELQCJRCCK-UHFFFAOYSA-N |
| SMILES | OC(C1=CC=CC=C1)C(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.990697 |