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Diphenyl [Cyclohexyl({1-[(4-fluorophenyl)selanyl]propan-2-yl}-amino)methyl]phosphonate
SpectraBase Compound ID IsKYpyuoofn
InChI InChI=1S/C28H33FNO3PSe/c1-22(21-35-27-19-17-24(29)18-20-27)30-28(23-11-5-2-6-12-23)34(31,32-25-13-7-3-8-14-25)33-26-15-9-4-10-16-26/h3-4,7-10,13-20,22-23,28,30H,2,5-6,11-12,21H2,1H3
InChIKey JIJIPWASPKSZAL-UHFFFAOYSA-N
Mol Weight 560.5 g/mol
Molecular Formula C28H33FNO3PSe
Exact Mass 561.134731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jBQl66cwqT
Name Diphenyl [Cyclohexyl({1-[(4-fluorophenyl)selanyl]propan-2-yl}-amino)methyl]phosphonate
Appearance Yellow oil
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Exact Mass 561.134731085 u
Formula C28H33FNO3PSe
InChI InChI=1S/C28H33FNO3PSe/c1-22(21-35-27-19-17-24(29)18-20-27)30-28(23-11-5-2-6-12-23)34(31,32-25-13-7-3-8-14-25)33-26-15-9-4-10-16-26/h3-4,7-10,13-20,22-23,28,30H,2,5-6,11-12,21H2,1H3
InChIKey JIJIPWASPKSZAL-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701565
Molecular Weight 560.520 g/mol
Quality 58
SMILES N(C(P(OC1=CC=CC=C1)(=O)OC1=CC=CC=C1)C1CCCCC1)C(C[Se]C1=CC=C(C=C1)F)C
SPLASH splash10-007o-2490000000-ff8bc1f7dc5ba5aaae90
Sample Comments dr = 60:40
Source of Spectrum K1-2018-637-4l (DOI: 10.1002/ejoc.201701565)
Wiley ID 1894436