| SpectraBase Spectrum ID |
GqxK2j731oA |
| Name |
3-Acetyl-8,9-diethoxy-1,5,6,10B-tetrahydro-1-phenyl-(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 |
379.189591674 u |
| Formula |
C22H25N3O3 |
| InChI |
InChI=1S/C22H25N3O3/c1-4-27-19-13-16-11-12-24-21(15(3)26)23-25(17-9-7-6-8-10-17)22(24)18(16)14-20(19)28-5-2/h6-10,13-14,22H,4-5,11-12H2,1-3H3 |
| InChIKey |
DXVFLKJQLIZVES-UHFFFAOYSA-N |
| Molecular Weight |
379.460 g/mol |
| SMILES |
C12N(C(=NN2C2=CC=CC=C2)C(=O)C)CCC=2C=C(C(=CC12)OCC)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927711 |
![3-Acetyl-8,9-diethoxy-1,5,6,10b-tetrahydro-1-phenyl-(1,2,4)-triazolo[3,4-a]isoquinoline](/api/spectrum/GqxK2j731oA/structure.png?h=300&w=458 "3-Acetyl-8,9-diethoxy-1,5,6,10b-tetrahydro-1-phenyl-(1,2,4)-triazolo[3,4-a]isoquinoline")
