SpectraBase Spectrum ID |
B05EbEXSC6N |
Name |
7-(4-Trifluoromethylphenyl)-7-phenylnorbornane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
316.143885101 u |
Formula |
C20H19F3 |
InChI |
InChI=1S/C20H19F3/c21-20(22,23)18-12-10-17(11-13-18)19(14-4-2-1-3-5-14)15-6-7-16(19)9-8-15/h1-5,10-13,15-16H,6-9H2/t15-,16+,19- |
InChIKey |
QWKKFQROQIUWON-HGKCTWBKSA-N |
Molecular Weight |
316.367 g/mol |
SMILES |
C1C[C@]2(CC[C@@]1(C2(C=1C=CC=CC1)C=1C=CC(=CC1)C(F)(F)F)[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895251 |