| SpectraBase Spectrum ID |
27QQ7yNBk8 |
| Name |
3-(3,5-Dimethylisoxazole-4-carbonyl)-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. |
| Formula |
C20H20N2O3 |
| InChI |
InChI=1S/C20H20N2O3/c1-12-16(13(2)25-22-12)18(23)17-15-10-6-7-11-20(15,21-19(17)24)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,21,24) |
| InChIKey |
MAVZJXGODAAPLU-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS QP2010SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.2c02935 |
| Quality |
218 |
| Reported Formula |
C20H20N2O3 |
| SMILES |
N1C(C(=C2C1(CCCC2)C1=CC=CC=C1)C(C1=C(ON=C1C)C)=O)=O |
| SPLASH |
splash10-03di-1594000000-7b7607caf453117e880e |
| Source of Spectrum |
JOC-88-3961-4an (DOI: 10.1021/acs.joc.2c02935) |
| Wiley ID |
1912712 |
