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XDBFCZJYNUHJGE-ZSCHJXSPSA-N
SpectraBase Compound ID 8zxv4xS9ijU
InChI InChI=1S/C10H20S4.C6H9NO2/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;1-5(3-4-7)9-6(2)8/h1-10H2;5H,3H2,1-2H3/t;5-/m.0/s1
InChIKey XDBFCZJYNUHJGE-ZSCHJXSPSA-N
Mol Weight 395.7 g/mol
Molecular Formula C16H29NO2S4
Exact Mass 395.108114 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LClSphN0nTx
Name XDBFCZJYNUHJGE-ZSCHJXSPSA-N
Compound Number 1/23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H29NO2S4
InChI InChI=1S/C10H20S4.C6H9NO2/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;1-5(3-4-7)9-6(2)8/h1-10H2;5H,3H2,1-2H3/t;5-/m.0/s1
InChIKey XDBFCZJYNUHJGE-ZSCHJXSPSA-N
Literature Reference Author T.ITOH,Y.TAKAGI,T.MURAKAMI,Y.HIYAMA,H.TSUKUBE
Literature Reference Citation J.ORG.CHEM.,61,2158(1996)
Literature Reference DOI 10.1021/jo951598+
Molecular Weight 395.652 g/mol
Solvent CDCl3;2-EQUIVALENTS-CROWN-ETHER