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NXQOTTHYXHWYJH-BZCBTWHTSA-M

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NXQOTTHYXHWYJH-BZCBTWHTSA-M
SpectraBase Compound ID DsVwV1YSJDo
InChI InChI=1S/C15H10.C10H16S.2C4H9N.Re/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;11-10-4-7-1-8(5-10)3-9(2-7)6-10;2*1-4(2,3)5;/h3-12H;7-9,11H,1-6H2;2*1-3H3;/q;;;;+1/p-1/t;7-,8+,9-,10-;;;
InChIKey NXQOTTHYXHWYJH-BZCBTWHTSA-M
Mol Weight 686.0 g/mol
Molecular Formula C33H43N2ReS
Exact Mass 686.270448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DGeU2dhF0Go
Name NXQOTTHYXHWYJH-BZCBTWHTSA-M
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H43N2ReS
InChI InChI=1S/C15H10.C10H16S.2C4H9N.Re/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;11-10-4-7-1-8(5-10)3-9(2-7)6-10;2*1-4(2,3)5;/h3-12H;7-9,11H,1-6H2;2*1-3H3;/q;;;;+1/p-1/t;7-,8+,9-,10-;;;
InChIKey NXQOTTHYXHWYJH-BZCBTWHTSA-M
Literature Reference Author X.LI,M.SCHOPF,J.STEPHAN,J.KIPPE,K.HARMS,J.SUNDERMEYER
Literature Reference Citation J.AM.CHEM.SOC.,126,8660(2004)
Literature Reference DOI 10.1021/ja048030f
Molecular Weight 685.985 g/mol
Solvent C6D6
Source File Reference UWMZ24347