| SpectraBase Spectrum ID |
GdlVdW0Gvci |
| Name |
3-Benzoyl-7a-(4-methoxyphenyl)-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/c1-26-17-12-10-16(11-13-17)22-14-6-5-9-18(22)19(21(25)23-22)20(24)15-7-3-2-4-8-15/h2-4,7-8,10-13H,5-6,9,14H2,1H3,(H,23,25) |
| InChIKey |
HTEBLFBMSOIMDL-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 |
102 |
| Reported Formula |
C22H21NO3 |
| SMILES |
N1C(C(=C2C1(CCCC2)C1=CC=C(C=C1)OC)C(C1=CC=CC=C1)=O)=O |
| SPLASH |
splash10-0006-0394000000-da5a14425bc9d1392d83 |
| Source of Spectrum |
JOC-88-3959-4ga (DOI: 10.1021/acs.joc.2c02935) |
| Wiley ID |
1912724 |
