SpectraBase Spectrum ID |
2lsWpUJL6yQ |
Name |
10A-Hydroxy-5,10-dihydropyrrolo[1,5-B]isoquinolin-3-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
201.078978596 u |
Formula |
C12H11NO2 |
InChI |
InChI=1S/C12H11NO2/c14-11-5-6-12(15)7-9-3-1-2-4-10(9)8-13(11)12/h1-6,15H,7-8H2 |
InChIKey |
IKAHMJUKMNHMLD-UHFFFAOYSA-N |
Molecular Weight |
201.225 g/mol |
SMILES |
C1(=O)C=CC2(CC3=CC=CC=C3CN12)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835981 |