| SpectraBase Compound ID | 3HlkJTM4SxV |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-4-12-10-7-6-8-11(9(10)3)13-5-2/h6-8H,4-5H2,1-3H3 |
| InChIKey | ZJCYULYFGMNBIQ-UHFFFAOYSA-N |
| Mol Weight | 180.25 g/mol |
| Molecular Formula | C11H16O2 |
| Exact Mass | 180.11503 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CI3FPlzIuix |
|---|---|
| Name | 2,6-Diethoxytoluene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.115029753 u |
| Formula | C11H16O2 |
| InChI | InChI=1S/C11H16O2/c1-4-12-10-7-6-8-11(9(10)3)13-5-2/h6-8H,4-5H2,1-3H3 |
| InChIKey | ZJCYULYFGMNBIQ-UHFFFAOYSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | C=1C(=C(C(=CC1)OCC)C)OCC |
| Spectrum/Structure Validation Score (Raman) | 0.703927 |