| SpectraBase Spectrum ID |
HaevmlDKUKq |
| Name |
3-(4-Methoxybenzoyl)-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 |
347.152143537 u |
| Formula |
C22H21NO3 |
| InChI |
InChI=1S/C22H21NO3/c1-26-17-12-10-15(11-13-17)20(24)19-18-9-5-6-14-22(18,23-21(19)25)16-7-3-2-4-8-16/h2-4,7-8,10-13H,5-6,9,14H2,1H3,(H,23,25) |
| InChIKey |
MWGQRKGTQHHMFF-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS QP2010SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.2c02935 |
| Molecular Weight |
347.414 g/mol |
| Quality |
66 |
| Reported Formula |
C22H21NO3 |
| SMILES |
N1C(C(=C2C1(CCCC2)C1=CC=CC=C1)C(C1=CC=C(C=C1)OC)=O)=O |
| SPLASH |
splash10-000b-0619000000-78f64f7596e1321f488a |
| Source of Spectrum |
JOC-88-3960-4ai (DOI: 10.1021/acs.joc.2c02935) |
| Wiley ID |
1912706 |
