| SpectraBase Compound ID | ANSV9egZD2b |
|---|---|
| InChI | InChI=1S/C10H14O3/c1-7-5-9(12-3)10(13-4)6-8(7)11-2/h5-6H,1-4H3 |
| InChIKey | UUJBBNSZJILFNT-UHFFFAOYSA-N |
| Mol Weight | 182.22 g/mol |
| Molecular Formula | C10H14O3 |
| Exact Mass | 182.094294 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KpFNWkY9LKH |
|---|---|
| Name | 2,4,5-Trimethoxytoluene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.094294308 u |
| Formula | C10H14O3 |
| InChI | InChI=1S/C10H14O3/c1-7-5-9(12-3)10(13-4)6-8(7)11-2/h5-6H,1-4H3 |
| InChIKey | UUJBBNSZJILFNT-UHFFFAOYSA-N |
| Molecular Weight | 182.219 g/mol |
| SMILES | C=1C(=C(C=C(C1C)OC)OC)OC |
| Spectrum/Structure Validation Score (Raman) | 0.989276 |