| SpectraBase Spectrum ID |
BxFouL65kM7 |
| Name |
(3aR,4S,9S,9aS)-2-benzyl-6-chloro-9-(4-chlorophenyl)-4-(trifluoromethyl)-3a,4,9,9a-tetrahydro-1H-benzo[f]isoindol-3-one |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H20Cl2F3NO |
| InChI |
InChI=1S/C26H20Cl2F3NO/c27-17-8-6-16(7-9-17)22-19-11-10-18(28)12-20(19)24(26(29,30)31)23-21(22)14-32(25(23)33)13-15-4-2-1-3-5-15/h1-12,21-24H,13-14H2/t21-,22-,23+,24+/m0/s1 |
| InChIKey |
ZGYSVRSHZJYIQX-CJRSTVEYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201801508 |
| Molecular Weight |
490.353 g/mol |
| Reported Formula |
C26H20Cl2F3NO |
| SMILES |
C(N1C[C@@]2([H])[C@@](c3ccc(cc3)Cl)(c3ccc(cc3[C@@](C(F)(F)F)([C@]2([H])C1=O)[H])Cl)[H])c1ccccc1 |
| SPLASH |
splash10-000f-6000900000-173bef0b0d083b343522 |
| Source of Spectrum |
U1-2019-218-8e |
| Thin-Layer Chromatography |
Rf = 0.7 (hexane/AcOEt, 1:1) |
| Wiley ID |
1843626 |
![(3aR,4S,9S,9aS)-2-benzyl-6-chloro-9-(4-chlorophenyl)-4-(trifluoromethyl)-3a,4,9,9a-tetrahydro-1H-benzo[f]isoindol-3-one](/api/spectrum/BxFouL65kM7/structure.png?h=300&w=458 "(3aR,4S,9S,9aS)-2-benzyl-6-chloro-9-(4-chlorophenyl)-4-(trifluoromethyl)-3a,4,9,9a-tetrahydro-1H-benzo[f]isoindol-3-one")
