SpectraBase Spectrum ID |
JJfnmnxSxTm |
Name |
2-[4-(Trifluoromethyl)phenyl]benzaldehyde |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
250.060549398 u |
Formula |
C14H9F3O |
InChI |
InChI=1S/C14H9F3O/c15-14(16,17)12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-18/h1-9H |
InChIKey |
UUSBTGUDEHRZTF-UHFFFAOYSA-N |
Molecular Weight |
250.220 g/mol |
SMILES |
C(C1=CC=C(C=2C(C=O)=CC=CC2)C=C1)(F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881099 |