| SpectraBase Spectrum ID |
CRlAXredj5 |
| Name |
5-Chloro3-methyl-1-phenethyl-2(1H)-pyrazinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.071640746 u |
| Formula |
C13H13ClN2O |
| InChI |
InChI=1S/C13H13ClN2O/c1-10-13(17)16(9-12(14)15-10)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3 |
| InChIKey |
WUHVJXJJJUUZJU-UHFFFAOYSA-N |
| Molecular Weight |
248.713 g/mol |
| SMILES |
C1(N(C=C(N=C1C)Cl)CCC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940818 |
