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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQTEel1aT3z
Name (6R,12bR)-8-diphenylphosphoryl-6-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4,6,12b-tetrahydro-1H-pyrazino[2,1-a][2]benzazepine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 620.656 g/mol
SMILES C1(=C[C@@](N2CCN(C[C@]2(c2c1cccc2)[H])c1cc(C(F)(F)F)ccc1)(c1ccccc1)[H])P(=O)(c1ccccc1)c1ccccc1
SPLASH splash10-014i-0090004000-42451f1495d8ece77dd6
Source of Spectrum F-69-4921-7
Wiley ID 1595327