| SpectraBase Spectrum ID |
BhGhJhlm1V5 |
| Name |
2-Azetidinone, 4-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenoxy)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
451.082264998 u |
| Formula |
C24H18ClNO6 |
| InChI |
InChI=1S/C24H18ClNO6/c25-16-3-5-17(6-4-16)32-23-22(15-2-8-19-21(10-15)31-13-29-19)26(24(23)27)11-14-1-7-18-20(9-14)30-12-28-18/h1-10,22-23H,11-13H2 |
| InChIKey |
BPXZXWGRWYMIOV-UHFFFAOYSA-N |
| Molecular Weight |
451.862 g/mol |
| SMILES |
C1OC2=CC=C(C=C2O1)CN1C(C(C1C1=CC=C2C(=C1)OCO2)OC1=CC=C(Cl)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920504 |
