| SpectraBase Spectrum ID |
KFEulEopEgb |
| Name |
methyl (3aR,4S,9S,9aS)-2-benzyl-3-oxo-9-phenyl-3a,4,9,9a-tetrahydro-1H-benzo[f]isoindole-4-carboxylate |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H25NO3 |
| InChI |
InChI=1S/C27H25NO3/c1-31-27(30)25-21-15-9-8-14-20(21)23(19-12-6-3-7-13-19)22-17-28(26(29)24(22)25)16-18-10-4-2-5-11-18/h2-15,22-25H,16-17H2,1H3/t22-,23-,24+,25+/m0/s1 |
| InChIKey |
ITZPEGNITIDEDY-CXSMSNRLSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201801508 |
| Molecular Weight |
411.501 g/mol |
| Reported Formula |
C27H25NO3 |
| SMILES |
C(N1C[C@@]2([H])[C@@](c3ccccc3)(c3ccccc3[C@@](C(=O)OC)([C@]2([H])C1=O)[H])[H])c1ccccc1 |
| SPLASH |
splash10-0006-9212400000-73d3c4466b4a2ebf4f5f |
| Source of Spectrum |
U1-2019-217-8a |
| Thin-Layer Chromatography |
Rf = 0.5 (hexane/diethyl ether, 1:4) |
| Wiley ID |
1843624 |
![methyl (3aR,4S,9S,9aS)-2-benzyl-3-oxo-9-phenyl-3a,4,9,9a-tetrahydro-1H-benzo[f]isoindole-4-carboxylate](/api/spectrum/KFEulEopEgb/structure.png?h=300&w=458 "methyl (3aR,4S,9S,9aS)-2-benzyl-3-oxo-9-phenyl-3a,4,9,9a-tetrahydro-1H-benzo[f]isoindole-4-carboxylate")
