| SpectraBase Spectrum ID |
JgbKc3PrqCA |
| Name |
3-Bromobenzoic acid, pentafluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.931483182 u |
| Formula |
C13H4BrF5O2 |
| InChI |
InChI=1S/C13H4BrF5O2/c14-6-3-1-2-5(4-6)13(20)21-12-10(18)8(16)7(15)9(17)11(12)19/h1-4H |
| InChIKey |
SUFAXCUTMNDIJO-UHFFFAOYSA-N |
| Molecular Weight |
367.069 g/mol |
| SMILES |
C1=CC=C(C=C1C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807859 |
