| SpectraBase Spectrum ID |
2rgmV9WXlgr |
| Name |
(3R*,4aR*)-8-Trifluoromethyl-3-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5,5-dicarbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H18F3N3 |
| InChI |
InChI=1S/C22H18F3N3/c23-22(24,25)18-6-7-19-17(10-18)12-21(13-26,14-27)20-11-16(8-9-28(19)20)15-4-2-1-3-5-15/h1-7,10,16,20H,8-9,11-12H2/t16-,20-/m0/s1 |
| InChIKey |
PFTCDHLCKLVKEL-JXFKEZNVSA-N |
| Molecular Weight |
381.402 g/mol |
| SMILES |
[C@@]12(N(c3c(CC2(C#N)C#N)cc(cc3)C(F)(F)F)CC[C@@](C1)(c1ccccc1)[H])[H] |
| SPLASH |
splash10-001i-0009000000-8f7d208f7db16f9fa54b |
| Source of Spectrum |
O1-45-753-13c |
| Wiley ID |
1669022 |
![(3R*,4aR*)-8-Trifluoromethyl-3-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5,5-dicarbonitrile](/api/spectrum/2rgmV9WXlgr/structure.png?h=300&w=458 "(3R*,4aR*)-8-Trifluoromethyl-3-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5,5-dicarbonitrile")
