| SpectraBase Spectrum ID |
8x50ekaYqPM |
| Name |
N-benzyl-N-(2-(phenylethynyl)phenyl)-2-(trifluoromethyl)benzamide |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.149698756 u |
| Formula |
C29H20F3NO |
| InChI |
InChI=1S/C29H20F3NO/c30-29(31,32)26-17-9-8-16-25(26)28(34)33(21-23-13-5-2-6-14-23)27-18-10-7-15-24(27)20-19-22-11-3-1-4-12-22/h1-18H,21H2 |
| InChIKey |
LQJAQJSXWKWJFU-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202201132 |
| Molecular Weight |
455.480 g/mol |
| Quality |
60 |
| SMILES |
C1(=CC=CC=C1)CN(C(C1=C(C=CC=C1)C(F)(F)F)=O)C1=C(C=CC=C1)C#CC1=CC=CC=C1 |
| SPLASH |
splash10-001i-0930000000-91677851e7c61f31b55d |
| Source of Spectrum |
K1-26-SM84-15af (DOI: 10.1002/ejoc.202201132) |
| Thin-Layer Chromatography |
0.172 (cHex/EtOAc, 10:1) |
| Wiley ID |
1910475 |
