| SpectraBase Spectrum ID |
4pZSkKm5A |
| Name |
3-(4-Iodobenzoyl)-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 |
443.038223822 u |
| Formula |
C21H18INO2 |
| InChI |
InChI=1S/C21H18INO2/c22-16-11-9-14(10-12-16)19(24)18-17-8-4-5-13-21(17,23-20(18)25)15-6-2-1-3-7-15/h1-3,6-7,9-12H,4-5,8,13H2,(H,23,25) |
| InChIKey |
SDNLQPMNFJJTHQ-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS QP2010SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.2c02935 |
| Molecular Weight |
443.284 g/mol |
| Quality |
129 |
| Reported Formula |
C21H18NO2I |
| SMILES |
N1C(C(=C2C1(CCCC2)C1=CC=CC=C1)C(C1=CC=C(C=C1)I)=O)=O |
| SPLASH |
splash10-03ec-0190600000-2d542c41c67d2cd3470d |
| Source of Spectrum |
JOC-88-3960-4ag (DOI: 10.1021/acs.joc.2c02935) |
| Wiley ID |
1912704 |
