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QHAXBZLBDVTJJT-QDXATWJZSA-N
SpectraBase Compound ID 4wMf0nFaJa4
InChI InChI=1S/C12H24O2S4.C6H9NO2/c13-11-7-15-3-1-4-16-8-12(14)10-18-6-2-5-17-9-11;1-5(3-4-7)9-6(2)8/h11-14H,1-10H2;5H,3H2,1-2H3/t;5-/m.1/s1
InChIKey QHAXBZLBDVTJJT-QDXATWJZSA-N
Mol Weight 455.7 g/mol
Molecular Formula C18H33NO4S4
Exact Mass 455.129243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F03SJe9PaHF
Name QHAXBZLBDVTJJT-QDXATWJZSA-N
Compound Number 1/25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H33NO4S4
InChI InChI=1S/C12H24O2S4.C6H9NO2/c13-11-7-15-3-1-4-16-8-12(14)10-18-6-2-5-17-9-11;1-5(3-4-7)9-6(2)8/h11-14H,1-10H2;5H,3H2,1-2H3/t;5-/m.1/s1
InChIKey QHAXBZLBDVTJJT-QDXATWJZSA-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 455.704 g/mol
Solvent CDCl3;2-EQUIVALENTS-CROWN-ETHER