| SpectraBase Spectrum ID |
FuJgzCrVVou |
| Name |
6,7-Dimethoxy-2H-1,3-benzodioxole-5-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
207.053157770 u |
| Formula |
C10H9NO4 |
| InChI |
InChI=1S/C10H9NO4/c1-12-8-6(4-11)3-7-9(10(8)13-2)15-5-14-7/h3H,5H2,1-2H3 |
| InChIKey |
ZMIPIYLNMGDKKC-UHFFFAOYSA-N |
| Molecular Weight |
207.185 g/mol |
| SMILES |
C12=C(C=C(C(=C2OC)OC)C#N)OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826803 |
