| SpectraBase Compound ID | BysT3YlKhyc |
|---|---|
| InChI | InChI=1S/C11H14O5/c1-13-7-5-8(14-2)10(11(12)16-4)9(6-7)15-3/h5-6H,1-4H3 |
| InChIKey | CEARZEQLIHOYSV-UHFFFAOYSA-N |
| Mol Weight | 226.23 g/mol |
| Molecular Formula | C11H14O5 |
| Exact Mass | 226.084124 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I2UOogjtp5z |
|---|---|
| Name | Methyl 2,4,6-trimethoxybenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.084123546 u |
| Formula | C11H14O5 |
| InChI | InChI=1S/C11H14O5/c1-13-7-5-8(14-2)10(11(12)16-4)9(6-7)15-3/h5-6H,1-4H3 |
| InChIKey | CEARZEQLIHOYSV-UHFFFAOYSA-N |
| Molecular Weight | 226.228 g/mol |
| SMILES | C=1(C(=CC(=CC1OC)OC)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970185 |