SpectraBase Spectrum ID |
GAR1gCoopBY |
Name |
Urea, 1-(5-chloro-2-methoxyphenyl)-3-[4-(2-hydroxyethyl)phenyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
320.092770112 u |
Formula |
C16H17ClN2O3 |
InChI |
InChI=1S/C16H17ClN2O3/c1-22-15-7-4-12(17)10-14(15)19-16(21)18-13-5-2-11(3-6-13)8-9-20/h2-7,10,20H,8-9H2,1H3,(H2,18,19,21) |
InChIKey |
DZGHCJUTJFHSFA-UHFFFAOYSA-N |
Molecular Weight |
320.776 g/mol |
SMILES |
C(NC1=CC(=CC=C1OC)Cl)(NC1=CC=C(CCO)C=C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919824 |