| SpectraBase Spectrum ID |
DjaJgmoyNpq |
| Name |
Succinic acid, 2,4,6-trichlorophenyl 2-bromo-4-fluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
467.873383029 u |
| Formula |
C16H9BrCl3FO4 |
| InChI |
InChI=1S/C16H9BrCl3FO4/c17-10-7-9(21)1-2-13(10)24-14(22)3-4-15(23)25-16-11(19)5-8(18)6-12(16)20/h1-2,5-7H,3-4H2 |
| InChIKey |
MNKBBVQYDMBBPE-UHFFFAOYSA-N |
| Molecular Weight |
470.505 g/mol |
| SMILES |
C(CC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OC=1C=CC(=CC1Br)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932299 |
