| SpectraBase Spectrum ID |
FP9fCaRt390 |
| Name |
4,5-Dimethoxy-2-methylbenzeneacetonitrile; acetonitrile, (4,5-dimethoxy-o-tolyl)-; acetonitrile, (4,5-dimethoxy-o-tolyl)- ) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
191.094628661 u |
| Formula |
C11H13NO2 |
| InChI |
InChI=1S/C11H13NO2/c1-8-6-10(13-2)11(14-3)7-9(8)4-5-12/h6-7H,4H2,1-3H3 |
| InChIKey |
ZMGORDWGSBGHEQ-UHFFFAOYSA-N |
| Molecular Weight |
191.230 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)OC)OC)C)CC#N |
| Spectrum/Structure Validation Score (Raman) |
0.944143 |
