SpectraBase Spectrum ID |
LGTk4qhwCks |
Name |
Trifluoroacetamide,-(4-chlorobenzyl) |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
237.016826037 u |
Formula |
C9H7ClF3NO |
InChI |
InChI=1S/C9H7ClF3NO/c10-7-3-1-6(2-4-7)5-14-8(15)9(11,12)13/h1-4H,5H2,(H,14,15) |
InChIKey |
RLPUAASRBOLJJA-UHFFFAOYSA-N |
Molecular Weight |
237.609 g/mol |
SMILES |
C(NCC1=CC=C(C=C1)Cl)(=O)C(F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892808 |