| SpectraBase Spectrum ID |
tM1Yiebuq4 |
| Name |
1-Benzoyl-2-hydroxy-8,9-dimethoxy-3,5,6,10B-tetrahydropyrrolo[2,1-A]isoquinolin-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.126322711 u |
| Formula |
C21H19NO5 |
| InChI |
InChI=1S/C21H19NO5/c1-26-15-10-13-8-9-22-18(14(13)11-16(15)27-2)17(20(24)21(22)25)19(23)12-6-4-3-5-7-12/h3-7,10-11,18,24H,8-9H2,1-2H3 |
| InChIKey |
MEKXQBMBAXWECI-UHFFFAOYSA-N |
| Molecular Weight |
365.385 g/mol |
| SMILES |
C=1(C2N(CCC3=C2C=C(C(OC)=C3)OC)C(C1O)=O)C(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85933 |
![1-Benzoyl-2-hydroxy-8,9-dimethoxy-3,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one](/api/spectrum/tM1Yiebuq4/structure.png?h=300&w=458 "1-Benzoyl-2-hydroxy-8,9-dimethoxy-3,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one")
