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1,6-Bis((5R)-10,10-dimethyl-3,3-dioxo-3..lamda.(6)-thia-4-aza-tricyclo[5.2.1.0(1,5)]dec-4-yl)-2,5-dimethylenehexane-1,6-dione

View entire compound with spectra: 1 MS (GC)

1,6-Bis((5R)-10,10-dimethyl-3,3-dioxo-3..lamda.(6)-thia-4-aza-tricyclo[5.2.1.0(1,5)]dec-4-yl)-2,5-dimethylenehexane-1,6-dione
SpectraBase Compound ID 2ngMODctwzu
InChI InChI=1S/C28H40N2O6S2/c1-17(23(31)29-21-13-19-9-11-27(21,25(19,3)4)15-37(29,33)34)7-8-18(2)24(32)30-22-14-20-10-12-28(22,26(20,5)6)16-38(30,35)36/h19-22H,1-2,7-16H2,3-6H3/t19-,20-,21+,22+,27-,28-/m0/s1
InChIKey PYZVDUFCZNDHAD-KPPAGMJSSA-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 FS2tNi85WS
Name 1,6-Bis((5R)-10,10-dimethyl-3,3-dioxo-3..lamda.(6)-thia-4-aza-tricyclo[5.2.1.0(1,5)]dec-4-yl)-2,5-dimethylenehexane-1,6-dione
Alternate Name(s) 1,6-Bis((5R)-10,10-dimethyl-3,3-dioxo-3..lambda.(6)-thia-4-aza-tricyclo[5.2.1.0(1,5)]dec-4-yl)-2,5-dimethylenehexane-1,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H40N2O6S2
InChI InChI=1S/C28H40N2O6S2/c1-17(23(31)29-21-13-19-9-11-27(21,25(19,3)4)15-37(29,33)34)7-8-18(2)24(32)30-22-14-20-10-12-28(22,26(20,5)6)16-38(30,35)36/h19-22H,1-2,7-16H2,3-6H3/t19-,20-,21+,22+,27-,28-/m0/s1
InChIKey PYZVDUFCZNDHAD-KPPAGMJSSA-N
Molecular Weight 564.756 g/mol
SMILES [C@@]12(N(S(C[C@]11C([C@](C2)(CC1)[H])(C)C)(=O)=O)C(C(CCC(C(N1S(C[C@@]23[C@]1(C[C@](CC3)(C2(C)C)[H])[H])(=O)=O)=O)=C)=C)=O)[H]
SPLASH splash10-0k9l-8903000000-ce38c86df97dff57d412
Source of Spectrum QC-8-1418-32
Wiley ID 870013