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C(+)-CONFORMER

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C(+)-CONFORMER
SpectraBase Compound ID K2jOKqt8h2L
InChI InChI=1S/C8H13N3O3S2/c1-4(12)10-6-3-16-15-2-5(7(9)13)11-8(6)14/h5-6H,2-3H2,1H3,(H2,9,13)(H,10,12)(H,11,14)/t5-,6-/m0/s1
InChIKey WORWKQFJHDXYFR-WDSKDSINSA-N
Mol Weight 263.33 g/mol
Molecular Formula C8H13N3O3S2
Exact Mass 263.039834 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C8ywC7DmUHp
Name C(-)-CONFORMER
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H13N3O3S2
InChI InChI=1S/C8H13N3O3S2/c1-4(12)10-6-3-16-15-2-5(7(9)13)11-8(6)14/h5-6H,2-3H2,1H3,(H2,9,13)(H,10,12)(H,11,14)/t5-,6-/m0/s1
InChIKey WORWKQFJHDXYFR-WDSKDSINSA-N
Literature Reference Author C.J.CREIGHTON,C.H.REYNOLDS,D.H.S.LEE,G.C.LEO,A.B.REITZ
Literature Reference Citation J.AM.CHEM.SOC.,123,12664(2001)
Literature Reference DOI 10.1021/ja016505m
Molecular Weight 263.330 g/mol
Solvent H2O:D2O=10:1
Source File Reference UWSI24144