| SpectraBase Spectrum ID |
Fo5h0I0tWZZ |
| Name |
Pentafluorobenzoic acid, 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 |
383.922061313 u |
| Formula |
C13H3BrF6O2 |
| InChI |
InChI=1S/C13H3BrF6O2/c14-5-3-4(15)1-2-6(5)22-13(21)7-8(16)10(18)12(20)11(19)9(7)17/h1-3H |
| InChIKey |
IMKKZZASRJACFD-UHFFFAOYSA-N |
| Molecular Weight |
385.059 g/mol |
| SMILES |
C1(F)=CC=C(C(Br)=C1)OC(=O)C1=C(F)C(=C(C(=C1F)F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957633 |
