| SpectraBase Spectrum ID |
D9l7ohmAiKa |
| Name |
Succinic acid, 2-bromo-4-fluorophenyl 2-biphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.021600154 u |
| Formula |
C22H16BrFO4 |
| InChI |
InChI=1S/C22H16BrFO4/c23-18-14-16(24)10-11-20(18)28-22(26)13-12-21(25)27-19-9-5-4-8-17(19)15-6-2-1-3-7-15/h1-11,14H,12-13H2 |
| InChIKey |
YFXDANIOBZWOBA-UHFFFAOYSA-N |
| Molecular Weight |
443.268 g/mol |
| SMILES |
C1=CC=C(C=C1)C=1C(OC(CCC(OC2=CC=C(C=C2Br)F)=O)=O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901576 |
