| SpectraBase Spectrum ID |
9Z1LIDIKKLr |
| Name |
Dimethylmalonic acid, di(2,5-dichlorophenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.948969662 u |
| Formula |
C17H12Cl4O4 |
| InChI |
InChI=1S/C17H12Cl4O4/c1-17(2,15(22)24-13-7-9(18)3-5-11(13)20)16(23)25-14-8-10(19)4-6-12(14)21/h3-8H,1-2H3 |
| InChIKey |
VBEFTBIIJHKPMM-UHFFFAOYSA-N |
| Molecular Weight |
422.091 g/mol |
| SMILES |
C1=CC(=CC(=C1Cl)OC(C(C(OC1=C(C=CC(=C1)Cl)Cl)=O)(C)C)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949143 |
