| SpectraBase Spectrum ID |
DLoYvy7xJmT |
| Name |
1-Acetyl-3-N-phenyl-5,6-dimethoxy[1,2,4]triazolo[3,4-A]isoquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.158291545 u |
| Formula |
C20H21N3O3 |
| InChI |
InChI=1S/C20H21N3O3/c1-13(24)19-21-23(15-7-5-4-6-8-15)20-16-12-18(26-3)17(25-2)11-14(16)9-10-22(19)20/h4-8,11-12,20H,9-10H2,1-3H3/t20-/m1/s1 |
| InChIKey |
PPADIZPYOOWNCE-HXUWFJFHSA-N |
| Molecular Weight |
351.406 g/mol |
| SMILES |
[C@@]12(N(C(=NN2C=2C=CC=CC2)C(=O)C)CCC2=CC(=C(C=C12)OC)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917715 |
![1-Acetyl-3-N-phenyl-5,6-dimethoxy[1,2,4]triazolo[3,4-a]isoquinoline](/api/spectrum/DLoYvy7xJmT/structure.png?h=300&w=458 "1-Acetyl-3-N-phenyl-5,6-dimethoxy[1,2,4]triazolo[3,4-a]isoquinoline")
