SpectraBase Spectrum ID |
IEmu9TVSmj2 |
Name |
2(1H)-Pyrazinone, 5-chloro-3-methoxy-1-phenyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
236.035255236 u |
Formula |
C11H9ClN2O2 |
InChI |
InChI=1S/C11H9ClN2O2/c1-16-10-11(15)14(7-9(12)13-10)8-5-3-2-4-6-8/h2-7H,1H3 |
InChIKey |
YHIMBULNGSBRIA-UHFFFAOYSA-N |
Molecular Weight |
236.658 g/mol |
SMILES |
C1(N(C=C(N=C1OC)Cl)C=1C=CC=CC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944474 |