| SpectraBase Compound ID | 5DEZ9eAGh6d |
|---|---|
| InChI | InChI=1S/C11H12O3/c1-6-4-7(2)9(8(3)5-6)10(12)11(13)14/h4-5H,1-3H3,(H,13,14) |
| InChIKey | IRSQOXNQMAUSTG-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 | 2voZjDsGB1l |
|---|---|
| Name | Mesitylglyoxylic acid |
| 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/c1-6-4-7(2)9(8(3)5-6)10(12)11(13)14/h4-5H,1-3H3,(H,13,14) |
| InChIKey | IRSQOXNQMAUSTG-UHFFFAOYSA-N |
| Molecular Weight | 192.214 g/mol |
| SMILES | C1(C(C(=O)O)=O)=C(C=C(C=C1C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9751 |