| SpectraBase Spectrum ID |
GKBTDagRzUF |
| Name |
7a-Phenyl-3-(4-(trifluoromethyl)benzoyl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one |
| Appearance |
White crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.128963311 u |
| Formula |
C22H18F3NO2 |
| InChI |
InChI=1S/C22H18F3NO2/c23-22(24,25)16-11-9-14(10-12-16)19(27)18-17-8-4-5-13-21(17,26-20(18)28)15-6-2-1-3-7-15/h1-3,6-7,9-12H,4-5,8,13H2,(H,26,28) |
| InChIKey |
GEIJRWIWCPKEHX-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS QP2010SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.2c02935 |
| Molecular Weight |
385.386 g/mol |
| Quality |
88 |
| Reported Formula |
C22H18NO2F3 |
| SMILES |
N1C(C(=C2C1(CCCC2)C1=CC=CC=C1)C(C1=CC=C(C=C1)C(F)(F)F)=O)=O |
| SPLASH |
splash10-03di-0694000000-99139590a1abd9e181d2 |
| Source of Spectrum |
JOC-88-3961-4ak (DOI: 10.1021/acs.joc.2c02935) |
| Wiley ID |
1912709 |
