| SpectraBase Spectrum ID |
EYldIJ5VVeD |
| Name |
3-(2,3,4-Trimethoxyphenyl)propanenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.105193344 u |
| Formula |
C12H15NO3 |
| InChI |
InChI=1S/C12H15NO3/c1-14-10-7-6-9(5-4-8-13)11(15-2)12(10)16-3/h6-7H,4-5H2,1-3H3 |
| InChIKey |
IKYZOGGMJXYANI-UHFFFAOYSA-N |
| Molecular Weight |
221.256 g/mol |
| SMILES |
C=1C=C(C(OC)=C(C1OC)OC)CCC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861192 |
