SpectraBase Spectrum ID |
IDenZZxBByp |
Name |
2-[(4-Chloroanilino)carbonyl]phenyl acetate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
289.050570947 u |
Formula |
C15H12ClNO3 |
InChI |
InChI=1S/C15H12ClNO3/c1-10(18)20-14-5-3-2-4-13(14)15(19)17-12-8-6-11(16)7-9-12/h2-9H,1H3,(H,17,19) |
InChIKey |
MWINWGQRSUMWFP-UHFFFAOYSA-N |
SMILES |
C1(Cl)=CC=C(C=C1)NC(=O)C1=C(C=CC=C1)OC(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879338 |