| SpectraBase Spectrum ID |
3O0lwPvYR9E |
| Name |
2-benzyl-2-methyl-3-oxo-3-(4-(trifluoromethyl)phenyl)propanenitrile |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.102748563 u |
| Formula |
C18H14F3NO |
| InChI |
InChI=1S/C18H14F3NO/c1-17(12-22,11-13-5-3-2-4-6-13)16(23)14-7-9-15(10-8-14)18(19,20)21/h2-10H,11H2,1H3 |
| InChIKey |
LHSLUWYLFJSDQX-UHFFFAOYSA-N |
| Instrument Name |
SHIMADZU GCMS-QP2010, JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201804455 |
| Molecular Weight |
317.311 g/mol |
| Optical Rotation |
[a]D20 = +39.7 (c = 0.36, CHCl3) |
| Quality |
85 |
| Reported Formula |
C18H14F3NO |
| SMILES |
C=1C(C(F)(F)F)=CC=C(C(C(C#N)(C)CC=2C=CC=CC2)=O)C1 |
| SPLASH |
splash10-00dm-3900000000-79022ecc29049fd74c57 |
| Sample Comments |
93% ee |
| Source of Spectrum |
QE-24-SM15-3i (DOI: 10.1002/chem.201804455) |
| Wiley ID |
1901857 |
