| SpectraBase Compound ID | 4ZnHvqi7ysT |
|---|---|
| InChI | InChI=1S/C16H14O2/c1-17-15-9-5-13(6-10-15)3-4-14-7-11-16(18-2)12-8-14/h5-12H,1-2H3 |
| InChIKey | YKUOFMNGWLZXHA-UHFFFAOYSA-N |
| Mol Weight | 238.29 g/mol |
| Molecular Formula | C16H14O2 |
| Exact Mass | 238.09938 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1SLDGw1941e |
|---|---|
| Name | 4,4'-Dimethoxytolan |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.099379689 u |
| Formula | C16H14O2 |
| InChI | InChI=1S/C16H14O2/c1-17-15-9-5-13(6-10-15)3-4-14-7-11-16(18-2)12-8-14/h5-12H,1-2H3 |
| InChIKey | YKUOFMNGWLZXHA-UHFFFAOYSA-N |
| Molecular Weight | 238.286 g/mol |
| SMILES | C=1C(=CC=C(C1)OC)C#CC=1C=CC(=CC1)OC |
| Spectrum/Structure Validation Score (Raman) | 0.885358 |