| SpectraBase Spectrum ID |
D8jhvA5ARoS |
| Name |
{o-[p-(Trifluoromethyl)benzyl}phenyl}acetonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
275.092183879 u |
| Formula |
C16H12F3N |
| InChI |
InChI=1S/C16H12F3N/c17-16(18,19)15-7-5-12(6-8-15)11-14-4-2-1-3-13(14)9-10-20/h1-8H,9,11H2 |
| InChIKey |
KWICXMKAUJCCHE-UHFFFAOYSA-N |
| Molecular Weight |
275.274 g/mol |
| SMILES |
C(F)(F)(F)C1=CC=C(C=C1)CC=1C(=CC=CC1)CC#N |
| Spectrum/Structure Validation Score (Raman) |
0.96843 |
