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(1S,4S,1'S,4'S)-N-{3-(7',7'-Dimethyl-2'-oxobicyclo[2.2.1]hept-1'-ylmethylsulfonamidomethyl)benzyl}-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-ylmethanesulfonamide
SpectraBase Compound ID 5m99mGdIz7m
InChI InChI=1S/C28H40N2O6S2/c1-25(2)21-8-10-27(25,23(31)13-21)17-37(33,34)29-15-19-6-5-7-20(12-19)16-30-38(35,36)18-28-11-9-22(14-24(28)32)26(28,3)4/h5-7,12,21-22,29-30H,8-11,13-18H2,1-4H3/t21-,22-,27+,28+/m0/s1
InChIKey VASCXVQIADONOF-SHRQFBHGSA-N
Mol Weight 564.8 g/mol
Molecular Formula C28H40N2O6S2
Exact Mass 564.232779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9xbD5LGJeQP
Name (1S,4S,1'S,4'S)-N-{3-(7',7'-Dimethyl-2'-oxobicyclo[2.2.1]hept-1'-ylmethylsulfonamidomethyl)benzyl}-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-ylmethanesulfonamide
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Formula C28H40N2O6S2
InChI InChI=1S/C28H40N2O6S2/c1-25(2)21-8-10-27(25,23(31)13-21)17-37(33,34)29-15-19-6-5-7-20(12-19)16-30-38(35,36)18-28-11-9-22(14-24(28)32)26(28,3)4/h5-7,12,21-22,29-30H,8-11,13-18H2,1-4H3/t21-,22-,27+,28+/m0/s1
InChIKey VASCXVQIADONOF-SHRQFBHGSA-N
Molecular Weight 564.756 g/mol
SMILES N(S(C[C@@]12C([C@@]([H])(CC2)CC1=O)(C)C)(=O)=O)Cc1cc(CNS(C[C@@]23C([C@@]([H])(CC3)CC2=O)(C)C)(=O)=O)ccc1
SPLASH splash10-0pxs-5904000000-1792b644abcb4d82388c
Source of Spectrum KD-14-1110-5
Synonyms [(1S,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]-N-(3-{[({[(1S,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methyl}sulfonyl)amino]methyl}benzyl)methanesulfonamide
Wiley ID 1636019