| SpectraBase Spectrum ID |
9YiOHg1n7sV |
| Name |
5-Oxo-5-(2-oxo-7a-phenyl-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)pentyl benzoate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.194008349 u |
| Formula |
C26H27NO4 |
| InChI |
InChI=1S/C26H27NO4/c28-22(16-8-10-18-31-25(30)19-11-3-1-4-12-19)23-21-15-7-9-17-26(21,27-24(23)29)20-13-5-2-6-14-20/h1-6,11-14H,7-10,15-18H2,(H,27,29) |
| InChIKey |
YXPLEIJLHRLHHL-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS QP2010SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.2c02935 |
| Molecular Weight |
417.505 g/mol |
| Quality |
140 |
| Reported Formula |
C26H27NO4 |
| SMILES |
N1C(C(=C2C1(CCCC2)C=1C=CC=CC1)C(CCCCOC(C1=CC=CC=C1)=O)=O)=O |
| SPLASH |
splash10-0bt9-2690100000-c60c4fe2eb8c25a82120 |
| Source of Spectrum |
JOC-88-3961-4ar (DOI: 10.1021/acs.joc.2c02935) |
| Wiley ID |
1912716 |
