| SpectraBase Spectrum ID |
98tQQeSJYlT |
| Name |
3-oxo-3-phenyl-2-(4-(trifluoromethyl)phenylmethyl)propanenitrile |
| Appearance |
Pale yellow 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)15-8-6-12(7-9-15)10-14(11-21)16(22)13-4-2-1-3-5-13/h1-9,14H,10H2 |
| InChIKey |
ULTVZCHJILPMCL-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 |
74 |
| Reported Formula |
C17H12F3NO |
| SMILES |
C(=O)(C(C#N)CC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1 |
| SPLASH |
splash10-0a4i-4900000000-ff36136a71a073b27c3e |
| Source of Spectrum |
ACI-55-SM19-2m (DOI: 10.1002/anie.201605445) |
| Wiley ID |
1899114 |
