| SpectraBase Spectrum ID |
KAeTwlbOqQU |
| Name |
3,5-Dichloro-1-phenethyl-pyrazin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.017018349 u |
| Formula |
C12H10Cl2N2O |
| InChI |
InChI=1S/C12H10Cl2N2O/c13-10-8-16(12(17)11(14)15-10)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2 |
| InChIKey |
NFXCHNJDDAGZNL-UHFFFAOYSA-N |
| Molecular Weight |
269.131 g/mol |
| SMILES |
C1(=NC(=CN(C1=O)CCC=1C=CC=CC1)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961074 |
