| SpectraBase Spectrum ID |
ECSghxHUSYB |
| Name |
Diglycolic acid, di(2-chloro-6-fluorophenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.987335143 u |
| Formula |
C16H10Cl2F2O5 |
| InChI |
InChI=1S/C16H10Cl2F2O5/c17-9-3-1-5-11(19)15(9)24-13(21)7-23-8-14(22)25-16-10(18)4-2-6-12(16)20/h1-6H,7-8H2 |
| InChIKey |
NQZBCBAJCFLKCS-UHFFFAOYSA-N |
| Molecular Weight |
391.154 g/mol |
| SMILES |
C(COCC(=O)OC1=C(C=CC=C1Cl)F)(=O)OC1=C(C=CC=C1F)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881808 |
