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(1'R*,5R*)-5-(1'-Diphenylphosphinoylethyl)-3-undecyl-4,5-dihydroisoxazole

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(1'R*,5R*)-5-(1'-Diphenylphosphinoylethyl)-3-undecyl-4,5-dihydroisoxazole
SpectraBase Compound ID JJFsSF0YCFK
InChI InChI=1S/C28H40NO2P/c1-3-4-5-6-7-8-9-10-13-18-25-23-28(31-29-25)24(2)32(30,26-19-14-11-15-20-26)27-21-16-12-17-22-27/h11-12,14-17,19-22,24,28H,3-10,13,18,23H2,1-2H3/t24-,28-/m1/s1
InChIKey JVHQDYQOEQDUEG-UFHPHHKVSA-N
Mol Weight 453.6 g/mol
Molecular Formula C28H40NO2P
Exact Mass 453.279667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HkGzvcBPEvy
Name (1'R*,5R*)-5-(1'-Diphenylphosphinoylethyl)-3-undecyl-4,5-dihydroisoxazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.279666528 u
Formula C28H40NO2P
InChI InChI=1S/C28H40NO2P/c1-3-4-5-6-7-8-9-10-13-18-25-23-28(31-29-25)24(2)32(30,26-19-14-11-15-20-26)27-21-16-12-17-22-27/h11-12,14-17,19-22,24,28H,3-10,13,18,23H2,1-2H3/t24-,28-/m1/s1
InChIKey JVHQDYQOEQDUEG-UFHPHHKVSA-N
Molecular Weight 453.607 g/mol
SMILES [C@@](P(=O)(C1=CC=CC=C1)C=1C=CC=CC1)([C@@]1(ON=C(C1)CCCCCCCCCCC)[H])(C)[H]