| SpectraBase Spectrum ID |
8TrO1LL3Wx7 |
| Name |
3-Benzoyl-7a-(4-iodophenyl)-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/c22-16-11-9-15(10-12-16)21-13-5-4-8-17(21)18(20(25)23-21)19(24)14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8,13H2,(H,23,25) |
| InChIKey |
COSHSFBBOFSYPV-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 |
109 |
| Reported Formula |
C21H18NO2I |
| SMILES |
N1C(C(=C2C1(CCCC2)C1=CC=C(C=C1)I)C(C1=CC=CC=C1)=O)=O |
| SPLASH |
splash10-0a4i-0901300000-dea4764d1ad37a6e78e3 |
| Source of Spectrum |
JOC-88-3958-4ea (DOI: 10.1021/acs.joc.2c02935) |
| Wiley ID |
1912722 |
