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(1S,4S,1'S,4'S)-N-{4-(7',7'-Dimethyl-2'-oxobicyclo[2.2.1]hept-1'-ylmethylsulfonamidomethyl)benzyl}-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-ylmethanesulfonamide

View entire compound with spectra: 1 MS (GC)

(1S,4S,1'S,4'S)-N-{4-(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 9vXLlkmedse
InChI InChI=1S/C28H40N2O6S2/c1-25(2)21-9-11-27(25,23(31)13-21)17-30-37(33,34)16-20-7-5-19(6-8-20)15-29-38(35,36)18-28-12-10-22(14-24(28)32)26(28,3)4/h5-8,21-22,29-30H,9-18H2,1-4H3/t21-,22+,27-,28-/m1/s1
InChIKey RQOMTQZYCLSRHS-JGZRHYTASA-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 B0sylYEWBUm
Name (1S,4S,1'S,4'S)-N-{4-(7',7'-Dimethyl-2'-oxobicyclo[2.2.1]hept-1'-ylmethylsulfonamidomethyl)benzyl}-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-ylmethanesulfonamide
Alternate Name(s) [(1S,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]-N-(4-{[({[(1S,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methyl}amino)sulfonyl]methyl}benzyl)methanesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H40N2O6S2
InChI InChI=1S/C28H40N2O6S2/c1-25(2)21-9-11-27(25,23(31)13-21)17-30-37(33,34)16-20-7-5-19(6-8-20)15-29-38(35,36)18-28-12-10-22(14-24(28)32)26(28,3)4/h5-8,21-22,29-30H,9-18H2,1-4H3/t21-,22+,27-,28-/m1/s1
InChIKey RQOMTQZYCLSRHS-JGZRHYTASA-N
Molecular Weight 564.756 g/mol
SMILES N(S(C[C@@]12C([C@@]([H])(CC2)CC1=O)(C)C)(=O)=O)Cc1ccc(CS(NC[C@@]23C([C@]([H])(CC3)CC2=O)(C)C)(=O)=O)cc1
SPLASH splash10-067j-3902000000-94d4cb1c19f8819feb02
Source of Spectrum KD-14-1110-5
Wiley ID 1636018