| SpectraBase Spectrum ID |
1mjWyNqXlCd |
| Name |
2-benzyl-3-oxo-3-(4-(trifluoromethyl)phenyl)propanenitrile |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.087098498 u |
| Formula |
C17H12F3NO |
| InChI |
InChI=1S/C17H12F3NO/c18-17(19,20)15-8-6-13(7-9-15)16(22)14(11-21)10-12-4-2-1-3-5-12/h1-9,14H,10H2 |
| InChIKey |
FDDJDSIKQJLOQM-UHFFFAOYSA-N |
| Instrument Name |
SHIMADZU GCMS-QP2010 and JEOL JMS-DX303HF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201605445 |
| Molecular Weight |
303.284 g/mol |
| Quality |
90 |
| Reported Formula |
C17H12F3NO |
| SMILES |
C1(=CC=CC=C1)CC(C#N)C(C1=CC=C(C=C1)C(F)(F)F)=O |
| SPLASH |
splash10-00di-1900000000-81f45f3f5bd0e9940047 |
| Source of Spectrum |
ACI-55-SM16-2g (DOI: 10.1002/anie.201605445) |
| Wiley ID |
1899108 |
