| SpectraBase Spectrum ID |
I0anQio0o5C |
| Name |
3-(4-Methylbenzoyl)-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 |
331.157228918 u |
| Formula |
C22H21NO2 |
| InChI |
InChI=1S/C22H21NO2/c1-15-10-12-16(13-11-15)20(24)19-18-9-5-6-14-22(18,23-21(19)25)17-7-3-2-4-8-17/h2-4,7-8,10-13H,5-6,9,14H2,1H3,(H,23,25) |
| InChIKey |
MEERRXNMMXCTHC-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS QP2010SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.2c02935 |
| Molecular Weight |
331.415 g/mol |
| Quality |
143 |
| Reported Formula |
C22H21NO2 |
| SMILES |
N1C(C(=C2C1(CCCC2)C1=CC=CC=C1)C(C1=CC=C(C=C1)C)=O)=O |
| SPLASH |
splash10-014i-3902000000-137e98f38bad515bea3c |
| Source of Spectrum |
JOC-88-3960-4ah (DOI: 10.1021/acs.joc.2c02935) |
| Wiley ID |
1912705 |
