| SpectraBase Spectrum ID |
EMEoGxxEFZU |
| Name |
Methyl 5-Oxo-5-(2-oxo-7a-phenyl-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)pentanoate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.162708221 u |
| Formula |
C20H23NO4 |
| InChI |
InChI=1S/C20H23NO4/c1-25-17(23)12-7-11-16(22)18-15-10-5-6-13-20(15,21-19(18)24)14-8-3-2-4-9-14/h2-4,8-9H,5-7,10-13H2,1H3,(H,21,24) |
| InChIKey |
HPKSSQCPCDRYSX-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS QP2010SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.2c02935 |
| Molecular Weight |
341.407 g/mol |
| Quality |
136 |
| Reported Formula |
C20H23NO4 |
| SMILES |
N1C(C(=C2C1(CCCC2)C1=CC=CC=C1)C(CCCC(OC)=O)=O)=O |
| SPLASH |
splash10-03dl-0292000000-be9aadf4391096409e0a |
| Source of Spectrum |
JOC-88-3961-4ap (DOI: 10.1021/acs.joc.2c02935) |
| Wiley ID |
1912714 |
