| SpectraBase Spectrum ID |
BWUhMqeWBIL |
| Name |
methyl (3aR,4S,9S,9aS)-2-benzyl-6-chloro-9-(4-chlorophenyl)-3-oxo-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 |
C27H23Cl2NO3 |
| InChI |
InChI=1S/C27H23Cl2NO3/c1-33-27(32)25-21-13-19(29)11-12-20(21)23(17-7-9-18(28)10-8-17)22-15-30(26(31)24(22)25)14-16-5-3-2-4-6-16/h2-13,22-25H,14-15H2,1H3/t22-,23-,24+,25+/m0/s1 |
| InChIKey |
IEMOBZSKTJQCLR-CXSMSNRLSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201801508 |
| Molecular Weight |
480.391 g/mol |
| Reported Formula |
C27H23Cl2NO3 |
| SMILES |
C(N1C[C@@]2([H])[C@@](c3ccc(cc3)Cl)(c3ccc(cc3[C@@](C(=O)OC)([C@]2([H])C1=O)[H])Cl)[H])c1ccccc1 |
| SPLASH |
splash10-00pi-0100900000-85fd8e11c5b48f7c82fa |
| Source of Spectrum |
U1-2019-218-8d |
| Thin-Layer Chromatography |
Rf = 0.6 (hexane/ diethyl ether, 1:4) |
| Wiley ID |
1843625 |
![methyl (3aR,4S,9S,9aS)-2-benzyl-6-chloro-9-(4-chlorophenyl)-3-oxo-3a,4,9,9a-tetrahydro-1H-benzo[f]isoindole-4-carboxylate](/api/spectrum/BWUhMqeWBIL/structure.png?h=300&w=458 "methyl (3aR,4S,9S,9aS)-2-benzyl-6-chloro-9-(4-chlorophenyl)-3-oxo-3a,4,9,9a-tetrahydro-1H-benzo[f]isoindole-4-carboxylate")
