| SpectraBase Spectrum ID |
L0HsVSw2xfc |
| Name |
Acetonitrile, (3,4-dihydro-6,7-dimethoxy-1(2H)-isoquinolinylidene)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
230.105527697 u |
| Formula |
C13H14N2O2 |
| InChI |
InChI=1S/C13H14N2O2/c1-16-12-7-9-4-6-15-11(3-5-14)10(9)8-13(12)17-2/h3,7-8,15H,4,6H2,1-2H3/b11-3- |
| InChIKey |
KHZAKBHKVKPSDN-JYOAFUTRSA-N |
| Molecular Weight |
230.267 g/mol |
| SMILES |
N1\C(C=2C=C(C(=CC2CC1)OC)OC)=C/C#N |
| Spectrum/Structure Validation Score (Raman) |
0.94866 |
