| SpectraBase Compound ID | IFv5PkzrAlT |
|---|---|
| InChI | InChI=1S/C17H16O2/c1-3-19-17-12-8-15(9-13-17)5-4-14-6-10-16(18-2)11-7-14/h6-13H,3H2,1-2H3 |
| InChIKey | ARRHNQZXVLZWSV-UHFFFAOYSA-N |
| Mol Weight | 252.31 g/mol |
| Molecular Formula | C17H16O2 |
| Exact Mass | 252.11503 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3Ffhmq3SxjH |
|---|---|
| Name | 4-Ethoxy-4'-methoxytolan |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.115029753 u |
| Formula | C17H16O2 |
| InChI | InChI=1S/C17H16O2/c1-3-19-17-12-8-15(9-13-17)5-4-14-6-10-16(18-2)11-7-14/h6-13H,3H2,1-2H3 |
| InChIKey | ARRHNQZXVLZWSV-UHFFFAOYSA-N |
| Molecular Weight | 252.313 g/mol |
| SMILES | C=1C(=CC=C(C1)OC)C#CC=1C=CC(=CC1)OCC |
| Spectrum/Structure Validation Score (Raman) | 0.885275 |