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DIPHENYL-[6-PHENYL-2-[3-(TRIFLUOROMETHYL)-PHENYL]-1,2,3,4,6,12B-HEXAHYDROBENZO-[C]-PYRAZINO-[1,2-A]-AZEPIN-8-YL]-PHOSPHANOXIDE

View entire compound with spectra: 2 NMR, and 1 MS (GC)

DIPHENYL-[6-PHENYL-2-[3-(TRIFLUOROMETHYL)-PHENYL]-1,2,3,4,6,12B-HEXAHYDROBENZO-[C]-PYRAZINO-[1,2-A]-AZEPIN-8-YL]-PHOSPHANOXIDE
SpectraBase Compound ID H5BQsI783BD
InChI InChI=1S/C38H32F3N2OP/c39-38(40,41)29-15-12-16-30(25-29)42-23-24-43-35(28-13-4-1-5-14-28)26-37(34-22-11-10-21-33(34)36(43)27-42)45(44,31-17-6-2-7-18-31)32-19-8-3-9-20-32/h1-22,25-26,35-36H,23-24,27H2/t35-,36+/m1/s1
InChIKey SWJKYIPQNOIOCH-XDSPJLLDSA-N
Mol Weight 620.7 g/mol
Molecular Formula C38H32F3N2OP
Exact Mass 620.220435 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 97STulVxuDf
Name DIPHENYL-[6-PHENYL-2-[3-(TRIFLUOROMETHYL)-PHENYL]-1,2,3,4,6,12B-HEXAHYDROBENZO-[C]-PYRAZINO-[1,2-A]-AZEPIN-8-YL]-PHOSPHANOXIDE
Compound Number 7D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H32F3N2OP
InChI InChI=1S/C38H32F3N2OP/c39-38(40,41)29-15-12-16-30(25-29)42-23-24-43-35(28-13-4-1-5-14-28)26-37(34-22-11-10-21-33(34)36(43)27-42)45(44,31-17-6-2-7-18-31)32-19-8-3-9-20-32/h1-22,25-26,35-36H,23-24,27H2/t35-,36+/m1/s1
InChIKey SWJKYIPQNOIOCH-XDSPJLLDSA-N
Literature Reference Author M.REISSER,G.MAAS
Literature Reference Citation J.ORG.CHEM.,69,4913(2004)
Literature Reference DOI 10.1021/jo049586o
Molecular Weight 620.654 g/mol
Solvent Unknown
Source File Reference UWVN22046