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(1S)-1-[2-[[2-[(1S)-1-hydroxypropyl]-4-nitro-phenyl]diselanyl]-5-nitro-phenyl]propan-1-ol

View entire compound with spectra: 1 MS (GC)

(1S)-1-[2-[[2-[(1S)-1-hydroxypropyl]-4-nitro-phenyl]diselanyl]-5-nitro-phenyl]propan-1-ol
SpectraBase Compound ID ARoOKRMYYrN
InChI InChI=1S/C18H20N2O6Se2/c1-3-15(21)13-9-11(19(23)24)5-7-17(13)27-28-18-8-6-12(20(25)26)10-14(18)16(22)4-2/h5-10,15-16,21-22H,3-4H2,1-2H3/t15-,16-/m0/s1
InChIKey MYGWHJPZYHLEGR-HOTGVXAUSA-N
Mol Weight 518.31 g/mol
Molecular Formula C18H20N2O6Se2
Exact Mass 519.96518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IPAvinUrxNu
Name (1S)-1-[2-[[2-[(1S)-1-hydroxypropyl]-4-nitro-phenyl]diselanyl]-5-nitro-phenyl]propan-1-ol
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Formula C18H20N2O6Se2
InChI InChI=1S/C18H20N2O6Se2/c1-3-15(21)13-9-11(19(23)24)5-7-17(13)27-28-18-8-6-12(20(25)26)10-14(18)16(22)4-2/h5-10,15-16,21-22H,3-4H2,1-2H3/t15-,16-/m0/s1
InChIKey MYGWHJPZYHLEGR-HOTGVXAUSA-N
Molecular Weight 518.310 g/mol
SMILES O[C@](c1cc(ccc1[Se][Se]c1c([C@@](O)(CC)[H])cc(cc1)N(=O)=O)N(=O)=O)(CC)[H]
SPLASH splash10-053r-3690100000-175aa18c95fd070be5e1
Source of Spectrum QE-3-1899-1
Synonyms (1S)-1-[2-[[2-[(1S)-1-hydroxypropyl]-4-nitrophenyl]diselanyl]-5-nitrophenyl]-1-propanol (1S)-1-[5-nitro-2-[[4-nitro-2-[(1S)-1-oxidanylpropyl]phenyl]diselanyl]phenyl]propan-1-ol
Wiley ID 843285