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KVFUCYOIKJCSGC-FZSMXKCYSA-N
SpectraBase Compound ID IYTaADaxr2O
InChI InChI=1S/C12H24O2S4.C4H7NO/c13-11-7-15-3-1-4-16-8-12(14)10-18-6-2-5-17-9-11;1-4(6)2-3-5/h11-14H,1-10H2;4,6H,2H2,1H3/t;4-/m.1/s1
InChIKey KVFUCYOIKJCSGC-FZSMXKCYSA-N
Mol Weight 413.7 g/mol
Molecular Formula C16H31NO3S4
Exact Mass 413.118679 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GAAXTjPHUm1
Name KVFUCYOIKJCSGC-FZSMXKCYSA-N
Compound Number 2/25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H31NO3S4
InChI InChI=1S/C12H24O2S4.C4H7NO/c13-11-7-15-3-1-4-16-8-12(14)10-18-6-2-5-17-9-11;1-4(6)2-3-5/h11-14H,1-10H2;4,6H,2H2,1H3/t;4-/m.1/s1
InChIKey KVFUCYOIKJCSGC-FZSMXKCYSA-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 413.667 g/mol
Solvent CDCl3;2-EQUIVALENTS-CROWN-ETHER