SpectraBase Spectrum ID |
5bqR0XydhIN |
Name |
Oxalic acid, monoamide, N-(3-clorophenyl)-, propyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
241.050570947 u |
Formula |
C11H12ClNO3 |
InChI |
InChI=1S/C11H12ClNO3/c1-2-6-16-11(15)10(14)13-9-5-3-4-8(12)7-9/h3-5,7H,2,6H2,1H3,(H,13,14) |
InChIKey |
QRIKFEDCGUIVAS-UHFFFAOYSA-N |
Molecular Weight |
241.674 g/mol |
SMILES |
CCCOC(C(=O)NC1=CC=CC(=C1)Cl)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964102 |