| SpectraBase Compound ID | CZvGdT4THLM |
|---|---|
| InChI | InChI=1S/C13H16O6/c1-6-9(13(16)18-5)10(15)12(17-4)7(2)11(6)19-8(3)14/h15H,1-5H3 |
| InChIKey | YRPYLCDNBAIAJQ-UHFFFAOYSA-N |
| Mol Weight | 268.26 g/mol |
| Molecular Formula | C13H16O6 |
| Exact Mass | 268.094688 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8XrHvrvcHDp |
|---|---|
| Name | Methyl 5-acetoxy-2-hydroxy-3-methoxy-4,6-dimethylbenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.094688229 u |
| Formula | C13H16O6 |
| InChI | InChI=1S/C13H16O6/c1-6-9(13(16)18-5)10(15)12(17-4)7(2)11(6)19-8(3)14/h15H,1-5H3 |
| InChIKey | YRPYLCDNBAIAJQ-UHFFFAOYSA-N |
| SMILES | C(C=1C(=C(C(=C(C1C)OC(=O)C)C)OC)O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88054 |