| SpectraBase Spectrum ID |
4F8HajSwu3g |
| Name |
Ethyl 3-benzyl-2-methyl-4-oxo-3,11B-dihydro-4H-pyrimido[6,1-A]isoquinoline-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.163042573 u |
| Formula |
C23H22N2O3 |
| InChI |
InChI=1S/C23H22N2O3/c1-3-28-22(26)20-16(2)25(15-17-9-5-4-6-10-17)23(27)24-14-13-18-11-7-8-12-19(18)21(20)24/h4-14,21H,3,15H2,1-2H3 |
| InChIKey |
WLGDIDKFTZEZDS-UHFFFAOYSA-N |
| Molecular Weight |
374.440 g/mol |
| SMILES |
C1(=C(N(CC2=CC=CC=C2)C(N2C1C1=C(C=C2)C=CC=C1)=O)C)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887626 |
![Ethyl 3-benzyl-2-methyl-4-oxo-3,11b-dihydro-4H-pyrimido[6,1-a]isoquinoline-1-carboxylate](/api/spectrum/4F8HajSwu3g/structure.png?h=300&w=458 "Ethyl 3-benzyl-2-methyl-4-oxo-3,11b-dihydro-4H-pyrimido[6,1-a]isoquinoline-1-carboxylate")
