| SpectraBase Spectrum ID |
EsaihFUpmY1 |
| Name |
1-[8,9-Dimethoxy-1-(4-methylphenyl)-6,10B-dihydro-5H-[1,2,4]triazolo[3,4-A]isoquinolin-3-yl]ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.173941610 u |
| Formula |
C21H23N3O3 |
| InChI |
InChI=1S/C21H23N3O3/c1-13-5-7-16(8-6-13)24-21-17-12-19(27-4)18(26-3)11-15(17)9-10-23(21)20(22-24)14(2)25/h5-8,11-12,21H,9-10H2,1-4H3/t21-/m1/s1 |
| InChIKey |
XIFZHHRBADCEKA-OAQYLSRUSA-N |
| Molecular Weight |
365.433 g/mol |
| SMILES |
[C@@]12(N(C(=NN2C2=CC=C(C=C2)C)C(=O)C)CCC2=CC(=C(C=C12)OC)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946314 |
![1-[8,9-dimethoxy-1-(4-methylphenyl)-6,10b-dihydro-5H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl]ethanone](/api/spectrum/EsaihFUpmY1/structure.png?h=300&w=458 "1-[8,9-dimethoxy-1-(4-methylphenyl)-6,10b-dihydro-5H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl]ethanone")
