| SpectraBase Spectrum ID |
Hfl99a8FZa6 |
| Name |
7-Methoxy-8-methyl-2,5,10,10A-tetrahydro-1H-pyrrolo[1,2-B]isoquinoline-3,6,9-trione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.100107963 u |
| Formula |
C14H15NO4 |
| InChI |
InChI=1S/C14H15NO4/c1-7-12(17)9-5-8-3-4-11(16)15(8)6-10(9)13(18)14(7)19-2/h8H,3-6H2,1-2H3 |
| InChIKey |
PBORNPAGXPXLHL-UHFFFAOYSA-N |
| Molecular Weight |
261.277 g/mol |
| SMILES |
C12=C(C(=O)C(=C(C2=O)OC)C)CC2N(C1)C(CC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848573 |
![7-Methoxy-8-methyl-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinoline-3,6,9-trione](/api/spectrum/Hfl99a8FZa6/structure.png?h=300&w=458 "7-Methoxy-8-methyl-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinoline-3,6,9-trione")
