| SpectraBase Spectrum ID |
CcO93Lcb8DF |
| Name |
3-Benzoyl-7a-(4-chlorophenyl)-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 |
351.102606522 u |
| Formula |
C21H18ClNO2 |
| InChI |
InChI=1S/C21H18ClNO2/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 |
FRVVILPGOZBHFC-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS QP2010SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.2c02935 |
| Molecular Weight |
351.833 g/mol |
| Quality |
82 |
| Reported Formula |
C21H18NO2Cl |
| SMILES |
N1C(C(=C2C1(CCCC2)C1=CC=C(C=C1)Cl)C(C1=CC=CC=C1)=O)=O |
| SPLASH |
splash10-0a4i-0912000000-b88e809862501348140d |
| Source of Spectrum |
JOC-88-3958-4ca (DOI: 10.1021/acs.joc.2c02935) |
| Wiley ID |
1912720 |
