SpectraBase Spectrum ID |
HIPzqkpmoFX |
Name |
4-[o-Chlorophenyl]-2H-1,3-[3H]-oxazine-2,6-dione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
223.003620754 u |
Formula |
C10H6ClNO3 |
InChI |
InChI=1S/C10H6ClNO3/c11-7-4-2-1-3-6(7)8-5-9(13)15-10(14)12-8/h1-5H,(H,12,14) |
InChIKey |
SKJOPTOBUFXKMV-UHFFFAOYSA-N |
Molecular Weight |
223.615 g/mol |
SMILES |
C1=CC=CC(=C1Cl)C=1NC(OC(C1)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966947 |