| SpectraBase Spectrum ID |
H4JTgBKFE45 |
| Name |
3-(4-Chloranyl-2-methyl-phenoxy)-4-(2-chlorophenyl)-1-(3-nitrophenyl)azetidin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.048712399 u |
| Formula |
C22H16Cl2N2O4 |
| InChI |
InChI=1S/C22H16Cl2N2O4/c1-13-11-14(23)9-10-19(13)30-21-20(17-7-2-3-8-18(17)24)25(22(21)27)15-5-4-6-16(12-15)26(28)29/h2-12,20-21H,1H3 |
| InChIKey |
SWFZHYGVOAWADE-UHFFFAOYSA-N |
| Molecular Weight |
443.286 g/mol |
| SMILES |
C=1C=CC(C2C(OC=3C(=CC(=CC3)Cl)C)C(N2C2=CC(N(=O)=O)=CC=C2)=O)=C(Cl)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845483 |
