| SpectraBase Spectrum ID |
FQr7403tVRt |
| Name |
Diethylmalonic acid, di(2-chlorophenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.058214456 u |
| Formula |
C19H18Cl2O4 |
| InChI |
InChI=1S/C19H18Cl2O4/c1-3-19(4-2,17(22)24-15-11-7-5-9-13(15)20)18(23)25-16-12-8-6-10-14(16)21/h5-12H,3-4H2,1-2H3 |
| InChIKey |
IIFRVQWQQKNIHR-UHFFFAOYSA-N |
| Molecular Weight |
381.255 g/mol |
| SMILES |
C(C(C(OC1=CC=CC=C1Cl)=O)(C(OC1=C(C=CC=C1)Cl)=O)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883979 |
