| SpectraBase Spectrum ID |
3SMpC3N0UDY |
| Name |
1-(Chloromethyl)-2-fluoro-3-(trifluoromethoxy)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
227.996505132 u |
| Formula |
C8H5ClF4O |
| InChI |
InChI=1S/C8H5ClF4O/c9-4-5-2-1-3-6(7(5)10)14-8(11,12)13/h1-3H,4H2 |
| InChIKey |
RXMSLJKBPIQURI-UHFFFAOYSA-N |
| Molecular Weight |
228.574 g/mol |
| SMILES |
C(F)(F)(F)OC1=C(C(=CC=C1)CCl)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809155 |
