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(5-ETA-C11H17)REO(SCH2CH2S)
SpectraBase Compound ID Gpw8vAQPbnS
InChI InChI=1S/C11H17.C2H6S2.O.Re/c1-6-11-9(4)7(2)8(3)10(11)5;3-1-2-4;;/h6H2,1-5H3;3-4H,1-2H2;;/q;;;+2/p-2
InChIKey MJAVHYKHYHNGKC-UHFFFAOYSA-L
Mol Weight 443.64 g/mol
Molecular Formula C13H21OReS2
Exact Mass 444.059135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7pnhBlWjcEt
Name (5-ETA-C11H17)REO(SCH2CH2S)
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H21OReS2
InChI InChI=1S/C11H17.C2H6S2.O.Re/c1-6-11-9(4)7(2)8(3)10(11)5;3-1-2-4;;/h6H2,1-5H3;3-4H,1-2H2;;/q;;;+2/p-2
InChIKey MJAVHYKHYHNGKC-UHFFFAOYSA-L
Literature Reference Author J.A.KANNEY,B.C.NOLL,M.R.DUBOIS
Literature Reference Citation J.AM.CHEM.SOC.,124,9878(2002)
Literature Reference DOI 10.1021/ja020125z
Molecular Weight 443.636 g/mol
Sample ID 49926
Solvent CDCl3