| SpectraBase Spectrum ID |
CPdqFU0tUWu |
| Name |
1-(3-Chloranyl-4-methyl-phenyl)-4-(3,4-dimethoxyphenyl)-3-phenoxy-azetidin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.123735888 u |
| Formula |
C24H22ClNO4 |
| InChI |
InChI=1S/C24H22ClNO4/c1-15-9-11-17(14-19(15)25)26-22(16-10-12-20(28-2)21(13-16)29-3)23(24(26)27)30-18-7-5-4-6-8-18/h4-14,22-23H,1-3H3 |
| InChIKey |
OWARUCZVWUVZCG-UHFFFAOYSA-N |
| Molecular Weight |
423.896 g/mol |
| SMILES |
C1=CC=C(OC2C(N(C2=O)C2=CC(Cl)=C(C=C2)C)C=2C=C(OC)C(=CC2)OC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83698 |
