| SpectraBase Spectrum ID |
IsSqYcsgJHo |
| Name |
3-(3-Bromobenzoyl)-7a-phenyl-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 |
395.052091822 u |
| Formula |
C21H18BrNO2 |
| InChI |
InChI=1S/C21H18BrNO2/c22-16-10-6-7-14(13-16)19(24)18-17-11-4-5-12-21(17,23-20(18)25)15-8-2-1-3-9-15/h1-3,6-10,13H,4-5,11-12H2,(H,23,25) |
| InChIKey |
YCIHDYNFDWPLMI-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS QP2010SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.2c02935 |
| Molecular Weight |
396.284 g/mol |
| Quality |
175 |
| Reported Formula |
C21H18NO2Br |
| SMILES |
N1C(C(=C2C1(CCCC2)C1=CC=CC=C1)C(C1=CC(=CC=C1)Br)=O)=O |
| SPLASH |
splash10-01ot-0569000000-af360ebae6756eba97ae |
| Source of Spectrum |
JOC-88-3960-4ae (DOI: 10.1021/acs.joc.2c02935) |
| Wiley ID |
1912702 |
