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(1R),(8S)-HYDROXY-(5R)-METHYL-3-THIO-2,4-DIAZA-6-OXABICYCLO-[3.3.1]-NONANE
SpectraBase Compound ID Cc0kR4Z0HIV
InChI InChI=1S/C7H12N2O2S/c1-7-2-4(5(10)3-11-7)8-6(12)9-7/h4-5,10H,2-3H2,1H3,(H2,8,9,12)/t4-,5-,7-/m1/s1
InChIKey ACUYYFQRCQJQBZ-WYDQCIBASA-N
Mol Weight 188.24 g/mol
Molecular Formula C7H12N2O2S
Exact Mass 188.061949 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IbLTVdEy5bN
Name (1R),(8S)-HYDROXY-(5R)-METHYL-3-THIO-2,4-DIAZA-6-OXABICYCLO-[3.3.1]-NONANE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12N2O2S
InChI InChI=1S/C7H12N2O2S/c1-7-2-4(5(10)3-11-7)8-6(12)9-7/h4-5,10H,2-3H2,1H3,(H2,8,9,12)/t4-,5-,7-/m1/s1
InChIKey ACUYYFQRCQJQBZ-WYDQCIBASA-N
Literature Reference Author M.V.FERNANDEZ,F.J.L.HERRERA,T.L.COBOS
Literature Reference Citation HETEROCYCLES,24,679(1986)
Literature Reference DOI 10.3987/R-1986-03-0679
Molecular Weight 188.244 g/mol
Solvent D2O
Source File Reference UWED12295