| SpectraBase Spectrum ID |
87BhMpy1Q8m |
| Name |
Succinic acid, di(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 |
461.891391124 u |
| Formula |
C16H10Br2F2O4 |
| InChI |
InChI=1S/C16H10Br2F2O4/c17-11-7-9(19)1-3-13(11)23-15(21)5-6-16(22)24-14-4-2-10(20)8-12(14)18/h1-4,7-8H,5-6H2 |
| InChIKey |
PJGAKTVKFUYNCI-UHFFFAOYSA-N |
| Molecular Weight |
464.057 g/mol |
| SMILES |
C1(=CC=C(C=C1Br)F)OC(CCC(OC1=CC=C(C=C1Br)F)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934533 |
