SpectraBase Spectrum ID |
8sj0TIh5fER |
Name |
Benz[B]1,4-oxazin-3(2H)-one, 4-(4-chlorobenzoyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
287.034920883 u |
Formula |
C15H10ClNO3 |
InChI |
InChI=1S/C15H10ClNO3/c16-11-7-5-10(6-8-11)15(19)17-12-3-1-2-4-13(12)20-9-14(17)18/h1-8H,9H2 |
InChIKey |
OEKQRWBPFPSAPS-UHFFFAOYSA-N |
SMILES |
C1=CC=C2C(=C1)OCC(N2C(=O)C=1C=CC(=CC1)Cl)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947892 |