| SpectraBase Spectrum ID |
tC717ke5MH |
| Name |
3-(4-Chloranyl-2-methyl-phenoxy)-1-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
457.084763556 u |
| Formula |
C24H21Cl2NO4 |
| InChI |
InChI=1S/C24H21Cl2NO4/c1-14-12-16(25)9-11-19(14)31-23-22(15-8-10-20(29-2)21(13-15)30-3)27(24(23)28)18-7-5-4-6-17(18)26/h4-13,22-23H,1-3H3 |
| InChIKey |
DMHCTQBQZWUUFC-UHFFFAOYSA-N |
| Molecular Weight |
458.341 g/mol |
| SMILES |
C1=CC=C(N2C(=O)C(C2C=2C=C(OC)C(=CC2)OC)OC=2C(=CC(=CC2)Cl)C)C(Cl)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892747 |
