| SpectraBase Spectrum ID |
55dY9K6nOJk |
| Name |
3-Benzoyl-7a-(p-tolyl)-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/c1-15-10-12-17(13-11-15)22-14-6-5-9-18(22)19(21(25)23-22)20(24)16-7-3-2-4-8-16/h2-4,7-8,10-13H,5-6,9,14H2,1H3,(H,23,25) |
| InChIKey |
REZICPMOROJJNY-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 |
113 |
| Reported Formula |
C22H21NO2 |
| SMILES |
N1C(C(=C2C1(CCCC2)C1=CC=C(C=C1)C)C(C1=CC=CC=C1)=O)=O |
| SPLASH |
splash10-056r-0695000000-7f54ada6ca1609a78cc9 |
| Source of Spectrum |
JOC-88-3959-4fa (DOI: 10.1021/acs.joc.2c02935) |
| Wiley ID |
1912723 |
