| SpectraBase Spectrum ID |
IYJWDIz2J7a |
| Name |
Methyl 4-(2-Oxo-7a-phenyl-2,4,5,6,7,7a-hexahydro-1H-indole-3-carbonyl)benzoate |
| Appearance |
White crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
375.147058156 u |
| Formula |
C23H21NO4 |
| InChI |
InChI=1S/C23H21NO4/c1-28-22(27)16-12-10-15(11-13-16)20(25)19-18-9-5-6-14-23(18,24-21(19)26)17-7-3-2-4-8-17/h2-4,7-8,10-13H,5-6,9,14H2,1H3,(H,24,26) |
| InChIKey |
MUTWLEJEZLMDHL-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS QP2010SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.2c02935 |
| Molecular Weight |
375.424 g/mol |
| Quality |
109 |
| Reported Formula |
C23H21NO4 |
| SMILES |
N1C(C(=C2C1(CCCC2)C1=CC=CC=C1)C(C1=CC=C(C=C1)C(OC)=O)=O)=O |
| SPLASH |
splash10-03di-0897000000-95e5c61e35bd289c3577 |
| Source of Spectrum |
JOC-88-3960-4aj (DOI: 10.1021/acs.joc.2c02935) |
| Wiley ID |
1912708 |
