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1-(4-Chlorophenyl)-N-diphenylphosphoryl-1-propanamine

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

1-(4-Chlorophenyl)-N-diphenylphosphoryl-1-propanamine
SpectraBase Compound ID 92WOv70FD5Z
InChI InChI=1S/C21H21ClNOP/c1-2-21(17-13-15-18(22)16-14-17)23-25(24,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,21H,2H2,1H3,(H,23,24)
InChIKey MBKKRWIHWUNTSW-UHFFFAOYSA-N
Mol Weight 369.83 g/mol
Molecular Formula C21H21ClNOP
Exact Mass 369.104929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JAAC8brRpRO
Name 1-(4-Chlorophenyl)-N-diphenylphosphoryl-1-propanamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.104928997 u
Formula C21H21ClNOP
InChI InChI=1S/C21H21ClNOP/c1-2-21(17-13-15-18(22)16-14-17)23-25(24,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,21H,2H2,1H3,(H,23,24)
InChIKey MBKKRWIHWUNTSW-UHFFFAOYSA-N
Molecular Weight 369.832 g/mol
SMILES C(NP(=O)(C1=CC=CC=C1)C=1C=CC=CC1)(C=1C=CC(=CC1)Cl)CC