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Dimer of (2S,2'S)-N-[2',3',4',5'-Tetrahydro-1'-oxido-1'-pyridinio-2'-carbonyl]bornane-10,12-sultam
SpectraBase Compound ID 1kI4PxgKJlC
InChI InChI=1S/2C16H24N2O4S/c2*1-15(2)11-6-7-16(15)10-23(21,22)18(13(16)9-11)14(19)12-5-3-4-8-17(12)20/h2*8,11-13H,3-7,9-10H2,1-2H3/t2*11-,12-,13-,16-/m00/s1
InChIKey CUUGCYDTDLJAIN-FJVZUQELSA-N
Mol Weight 680.88 g/mol
Molecular Formula C32H48N4O8S2
Exact Mass 680.291357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUnYM1o0tuL
Name Dimer of (2S,2'S)-N-[2',3',4',5'-Tetrahydro-1'-oxido-1'-pyridinio-2'-carbonyl]bornane-10,12-sultam
Alternate Name(s) bis((2S)-2-{[(5S)-10,10-dimethyl-3,3-dioxo-3-thia-4-azatricyclo[5.2.1.0(1,5)]decan-4-yl]carbonyl}-1-oxido-2,3,4,5-tetrahydropyridin-1-ium)
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Formula C32H48N4O8S2
InChI InChI=1S/2C16H24N2O4S/c2*1-15(2)11-6-7-16(15)10-23(21,22)18(13(16)9-11)14(19)12-5-3-4-8-17(12)20/h2*8,11-13H,3-7,9-10H2,1-2H3/t2*11-,12-,13-,16-/m00/s1
InChIKey CUUGCYDTDLJAIN-FJVZUQELSA-N
Molecular Weight 680.876 g/mol
SMILES C(N1S(C[C@@]23C([C@](C[C@]13[H])(CC2)[H])(C)C)(=O)=O)([C@]1([N+]([O-])=CCCC1)[H])=O.C(N1S(C[C@@]23C([C@](C[C@]13[H])(CC2)[H])(C)C)(=O)=O)([C@]1([N+]([O-])=CCCC1)[H])=O
SPLASH splash10-001i-9200000000-fe30de0f827c8f9bc659
Source of Spectrum H-77-558-3
Wiley ID 1414325