SpectraBase Spectrum ID |
BQzNK1ab9On |
Name |
7-Phenyl-2,3,5,6,7,8-hexahydro-6-oxoimidazo[1,2-A]pyrazine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
215.105862050 u |
Formula |
C12H13N3O |
InChI |
InChI=1S/C12H13N3O/c16-12-9-14-7-6-13-11(14)8-15(12)10-4-2-1-3-5-10/h1-5H,6-9H2 |
InChIKey |
VNNKJNUNRQRRBX-UHFFFAOYSA-N |
Molecular Weight |
215.256 g/mol |
SMILES |
C=12CN(C(CN2CCN1)=O)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905824 |