| SpectraBase Compound ID | BKeyZyE8jnn |
|---|---|
| InChI | InChI=1S/C9H10O4/c1-13-7-4-2-3-6(5-7)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12) |
| InChIKey | YTRUJRPALUALSN-UHFFFAOYSA-N |
| Mol Weight | 182.17 g/mol |
| Molecular Formula | C9H10O4 |
| Exact Mass | 182.057909 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CDpnIrnD9Mq |
|---|---|
| Name | m-Methoxymandelic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.057908798 u |
| Formula | C9H10O4 |
| InChI | InChI=1S/C9H10O4/c1-13-7-4-2-3-6(5-7)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12) |
| InChIKey | YTRUJRPALUALSN-UHFFFAOYSA-N |
| Molecular Weight | 182.175 g/mol |
| SMILES | OC(C(C1=CC(=CC=C1)OC)O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.942636 |