| SpectraBase Spectrum ID |
6ptu55zsY8H |
| Name |
3,3-Dimethoxy-2-(3,4,5-trimethoxybenzyl)propionitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.141972775 u |
| Formula |
C15H21NO5 |
| InChI |
InChI=1S/C15H21NO5/c1-17-12-7-10(8-13(18-2)14(12)19-3)6-11(9-16)15(20-4)21-5/h7-8,11,15H,6H2,1-5H3 |
| InChIKey |
YJLVEDBQYCETMX-UHFFFAOYSA-N |
| Molecular Weight |
295.335 g/mol |
| SMILES |
C1(=C(C=C(C=C1OC)CC(C#N)C(OC)OC)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947021 |
