| SpectraBase Spectrum ID |
8f4DJ57dq3E |
| Name |
2-(4-Bromophenoxy)ethanol, trifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.960891604 u |
| Formula |
C10H8BrF3O3 |
| InChI |
InChI=1S/C10H8BrF3O3/c11-7-1-3-8(4-2-7)16-5-6-17-9(15)10(12,13)14/h1-4H,5-6H2 |
| InChIKey |
RLQWXVFXZUVKMW-UHFFFAOYSA-N |
| Molecular Weight |
313.070 g/mol |
| SMILES |
C1(=CC=C(C=C1)Br)OCCOC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815722 |
