SpectraBase Spectrum ID |
5opy3ivlkFj |
Name |
4,8-di(4-Chlorophenyl)-3,7-dioxabicyclo[3.3.0]octane-2,6-dione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
362.011264262 u |
Formula |
C18H12Cl2O4 |
InChI |
InChI=1S/C18H12Cl2O4/c19-11-5-1-9(2-6-11)15-13-14(18(22)23-15)16(24-17(13)21)10-3-7-12(20)8-4-10/h1-8,13-16H |
InChIKey |
XIPWBGLYMPCLKJ-UHFFFAOYSA-N |
Molecular Weight |
363.196 g/mol |
SMILES |
C12C(C(=O)OC2C2=CC=C(C=C2)Cl)C(C=2C=CC(=CC2)Cl)OC1=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903063 |