| SpectraBase Spectrum ID |
6cZvpxzNQOL |
| Name |
Dimethylmalonic 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 |
475.907041188 u |
| Formula |
C17H12Br2F2O4 |
| InChI |
InChI=1S/C17H12Br2F2O4/c1-17(2,15(22)24-13-5-3-9(20)7-11(13)18)16(23)25-14-6-4-10(21)8-12(14)19/h3-8H,1-2H3 |
| InChIKey |
RKMAWGRZJFHJKW-UHFFFAOYSA-N |
| Molecular Weight |
478.084 g/mol |
| SMILES |
C1=C(C=C(C(=C1)OC(=O)C(C)(C)C(=O)OC1=CC=C(C=C1Br)F)Br)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937791 |
