| SpectraBase Compound ID | 46EA987eY5Z |
|---|---|
| InChI | InChI=1S/C18H18O2/c1-3-19-17-11-7-15(8-12-17)5-6-16-9-13-18(14-10-16)20-4-2/h7-14H,3-4H2,1-2H3 |
| InChIKey | TXCYFXRKCVXLQZ-UHFFFAOYSA-N |
| Mol Weight | 266.34 g/mol |
| Molecular Formula | C18H18O2 |
| Exact Mass | 266.13068 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3dEQJ9Ayrpo |
|---|---|
| Name | 4,4'-Diethoxytolan |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.130679818 u |
| Formula | C18H18O2 |
| InChI | InChI=1S/C18H18O2/c1-3-19-17-11-7-15(8-12-17)5-6-16-9-13-18(14-10-16)20-4-2/h7-14H,3-4H2,1-2H3 |
| InChIKey | TXCYFXRKCVXLQZ-UHFFFAOYSA-N |
| Molecular Weight | 266.340 g/mol |
| SMILES | C=1C(=CC=C(C1)OCC)C#CC=1C=CC(=CC1)OCC |
| Spectrum/Structure Validation Score (Raman) | 0.892738 |