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1,3-DIPHENYL-1-[4-[3-(TRIFLUOROMETHYL)-PHENYL]-PIPERAZINO]-2-PROPANYL-(DIPHENYL)-PHOSPHANOXIDE
SpectraBase Compound ID LLFNLqxXXXS
InChI InChI=1S/C38H32F3N2OP/c39-38(40,41)33-18-13-19-34(30-33)42-26-28-43(29-27-42)37(32-16-7-2-8-17-32,25-24-31-14-5-1-6-15-31)45(44,35-20-9-3-10-21-35)36-22-11-4-12-23-36/h1-23,30H,26-29H2
InChIKey YYVPSGZZXZHPCE-UHFFFAOYSA-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 J9rA5aMx5AG
Name 1-(1-diphenylphosphoryl-1,3-diphenyl-prop-2-ynyl)-4-[3-(trifluoromethyl)phenyl]piperazine
Comments Less than 3 mono-isotopic peaks
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Formula C38H32F3N2OP
InChI InChI=1S/C38H32F3N2OP/c39-38(40,41)33-18-13-19-34(30-33)42-26-28-43(29-27-42)37(32-16-7-2-8-17-32,25-24-31-14-5-1-6-15-31)45(44,35-20-9-3-10-21-35)36-22-11-4-12-23-36/h1-23,30H,26-29H2
InChIKey YYVPSGZZXZHPCE-UHFFFAOYSA-N
Molecular Weight 620.656 g/mol
SMILES C(P(=O)(c1ccccc1)c1ccccc1)(C#Cc1ccccc1)(N1CCN(CC1)c1cc(C(F)(F)F)ccc1)c1ccccc1
SPLASH splash10-014i-0000901000-b4d22801456578d9b258
Source of Spectrum F-69-4922-10
Wiley ID 1595325