| SpectraBase Spectrum ID |
81jLSepgf7A |
| Name |
Methanol, phenylbis(.alpha.,.alpha.,.alpha.-trifluoro-p-tolyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.094884048 u |
| Formula |
C21H14F6O |
| InChI |
InChI=1S/C21H14F6O/c22-20(23,24)17-10-6-15(7-11-17)19(28,14-4-2-1-3-5-14)16-8-12-18(13-9-16)21(25,26)27/h1-13,28H |
| InChIKey |
VYIVXWSAQLKHBR-UHFFFAOYSA-N |
| Molecular Weight |
396.332 g/mol |
| SMILES |
C(O)(C1=CC=C(C=C1)C(F)(F)F)(C1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915848 |
