SpectraBase Spectrum ID |
1P3R8B8OM9s |
Name |
2-Phenyl-6,7-dihydro-2H-pyrrolo[1,2-C]imidazol-3(5H)-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
200.094963013 u |
Formula |
C12H12N2O |
InChI |
InChI=1S/C12H12N2O/c15-12-13-8-4-7-11(13)9-14(12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2 |
InChIKey |
FXIGWCDLSCPEKE-UHFFFAOYSA-N |
Molecular Weight |
200.241 g/mol |
SMILES |
C1(N2C(=CN1C1=CC=CC=C1)CCC2)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941448 |