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2,6-Diazatricyclo[3.3.1.1(3,7)]decane-4,8-diol, 2-methyl-6-(phenylsulfonyl)-, (1.alpha.,3.beta.,4.beta.,5.alpha.,7.beta.,8.alpha.)-
SpectraBase Compound ID Hqa0W02jr5x
InChI InChI=1S/C15H20N2O4S/c1-16-10-7-12-15(19)11(16)8-13(14(10)18)17(12)22(20,21)9-5-3-2-4-6-9/h2-6,10-15,18-19H,7-8H2,1H3/t10-,11-,12-,13-,14-,15+/m0/s1
InChIKey PFGCTVJEVVQWAT-WCBJTDJXSA-N
Mol Weight 324.4 g/mol
Molecular Formula C15H20N2O4S
Exact Mass 324.114378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hB4KRpKlZf
Name 2,6-Diazatricyclo[3.3.1.1(3,7)]decane-4,8-diol, 2-methyl-6-(phenylsulfonyl)-, (1.alpha.,3.beta.,4.beta.,5.alpha.,7.beta.,8.alpha.)-
CAS Registry Number 50267-41-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20N2O4S
InChI InChI=1S/C15H20N2O4S/c1-16-10-7-12-15(19)11(16)8-13(14(10)18)17(12)22(20,21)9-5-3-2-4-6-9/h2-6,10-15,18-19H,7-8H2,1H3/t10-,11-,12-,13-,14-,15+/m0/s1
InChIKey PFGCTVJEVVQWAT-WCBJTDJXSA-N
Molecular Weight 324.395 g/mol
SMILES O[C@@]1([C@@]2(C[C@@]3(N([C@]1(C[C@]([C@@]3(O)[H])([H])N2C)[H])S(=O)(=O)c1ccccc1)[H])[H])[H]
SPLASH splash10-001i-4922000000-5df807a0306217493632
Source of Spectrum H-56-1988-2
Synonyms (1R,3R,4R,5S,7R,8S)-2-methyl-6-(phenylsulfonyl)-2,6-diazatricyclo[3.3.1.1(3,7)]decane-4,8-diol N(2)-methyl-N(6)-benzolsulfonyl-4n(6),8n(6)-dihydroxy-2,6-diaza-adamante
Wiley ID 1322938