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N,O-DICARBOTHIOATE_OF_VALIDAMINE
SpectraBase Compound ID HNlva1AqUQS
InChI InChI=1S/C19H21NO5S4/c1-28-18(26)20-12-8-11-9-22-16(10-6-4-3-5-7-10)23-13(11)15(25-19(27)29-2)14(12)24-17(20)21/h3-7,11-16H,8-9H2,1-2H3/t11-,12+,13-,14+,15+,16-/m0/s1
InChIKey AXADYQBBHZCRRL-PRFSMCDRSA-N
Mol Weight 471.6 g/mol
Molecular Formula C19H21NO5S4
Exact Mass 471.030257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BfbAaHTGxN4
Name N,O-DICARBOTHIOATE_OF_VALIDAMINE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H21NO5S4
InChI InChI=1S/C19H21NO5S4/c1-28-18(26)20-12-8-11-9-22-16(10-6-4-3-5-7-10)23-13(11)15(25-19(27)29-2)14(12)24-17(20)21/h3-7,11-16H,8-9H2,1-2H3/t11-,12+,13-,14+,15+,16-/m0/s1
InChIKey AXADYQBBHZCRRL-PRFSMCDRSA-N
Literature Reference Author Y.TSUDA,T.NAKAMOTO,F.KIUCHI,Y.KAMEDA
Literature Reference Citation HETEROCYCLES,44,427(1997)
Literature Reference DOI 10.3987/COM-96-S41
Molecular Weight 471.619 g/mol
Solvent CDCl3
Source File Reference UWMZ1722