| SpectraBase Spectrum ID |
LLRdETsm1cM |
| Name |
Ethyl 2-methyl-4,7-dioxo-4,6,7,11B-tetrahydro-3H-pyrimido[4,3-A]isoquinoline-1-carbo xylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.111006999 u |
| Formula |
C16H16N2O4 |
| InChI |
InChI=1S/C16H16N2O4/c1-3-22-15(20)13-9(2)17-16(21)18-8-12(19)10-6-4-5-7-11(10)14(13)18/h4-7,14H,3,8H2,1-2H3,(H,17,21) |
| InChIKey |
NRYUIYMESYFXQP-UHFFFAOYSA-N |
| SMILES |
C12N(C(NC(=C2C(=O)OCC)C)=O)CC(C=2C=CC=CC12)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80611 |
![Ethyl 2-methyl-4,7-dioxo-4,6,7,11b-tetrahydro-3H-pyrimido[4,3-a]isoquinoline-1-carbo xylate](/api/spectrum/LLRdETsm1cM/structure.png?h=300&w=458 "Ethyl 2-methyl-4,7-dioxo-4,6,7,11b-tetrahydro-3H-pyrimido[4,3-a]isoquinoline-1-carbo xylate")
