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Diphenyl [(3,5-Dimethoxyphenyl)({1-[(4-methoxyphenyl)selanyl]propan-2-yl}amino)methyl]phosphonate
SpectraBase Compound ID 32m76VDCJFV
InChI InChI=1S/C31H34NO6PSe/c1-23(22-40-30-17-15-25(34-2)16-18-30)32-31(24-19-28(35-3)21-29(20-24)36-4)39(33,37-26-11-7-5-8-12-26)38-27-13-9-6-10-14-27/h5-21,23,31-32H,22H2,1-4H3
InChIKey KRZXMHXHVSRCKP-UHFFFAOYSA-N
Mol Weight 626.6 g/mol
Molecular Formula C31H34NO6PSe
Exact Mass 627.128897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICbedeMdAXn
Name Diphenyl [(3,5-Dimethoxyphenyl)({1-[(4-methoxyphenyl)selanyl]propan-2-yl}amino)methyl]phosphonate
Appearance Yellow oil
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Exact Mass 627.128896811 u
Formula C31H34NO6PSe
InChI InChI=1S/C31H34NO6PSe/c1-23(22-40-30-17-15-25(34-2)16-18-30)32-31(24-19-28(35-3)21-29(20-24)36-4)39(33,37-26-11-7-5-8-12-26)38-27-13-9-6-10-14-27/h5-21,23,31-32H,22H2,1-4H3
InChIKey KRZXMHXHVSRCKP-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701565
Molecular Weight 626.560 g/mol
Quality 41
SMILES N(C(C=1C=C(C=C(C1)OC)OC)P(OC1=CC=CC=C1)(=O)OC1=CC=CC=C1)C(C[Se]C1=CC=C(C=C1)OC)C
SPLASH splash10-01ba-1900000000-09333cfdb204bd49e523
Sample Comments dr = 60:40
Source of Spectrum K1-2018-636-4h (DOI: 10.1002/ejoc.201701565)
Wiley ID 1894432