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EXO-PENTACARBONYL-(3-PHENYL-2-THIABICYCLO-[2.2.2]-OCT-5-ENE)-CHROMIUM
SpectraBase Compound ID HIQ6QFFUMb7
InChI InChI=1S/C13H14S.5CO.Cr/c1-2-4-10(5-3-1)13-11-6-8-12(14-13)9-7-11;5*1-2;/h1-6,8,11-13H,7,9H2;;;;;;/t11-,12+,13+;;;;;;/m0....../s1
InChIKey IGGZPJIAARSTJD-MKTAWLQUSA-N
Mol Weight 394.36 g/mol
Molecular Formula C18H14CrO5S
Exact Mass 393.9967 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EGQwNwg54fY
Name EXO-PENTACARBONYL-(3-PHENYL-2-THIABICYCLO-[2.2.2]-OCT-5-ENE)-CHROMIUM
CAS Registry Number 124536-71-6
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H14CrO5S
InChI InChI=1S/C13H14S.5CO.Cr/c1-2-4-10(5-3-1)13-11-6-8-12(14-13)9-7-11;5*1-2;/h1-6,8,11-13H,7,9H2;;;;;;/t11-,12+,13+;;;;;;/m0....../s1
InChIKey IGGZPJIAARSTJD-MKTAWLQUSA-N
Literature Reference Author H.FISCHER,U.GERBING,K.TREIER,J.HOFMANN
Literature Reference Citation CHEM.BER.,123,725(1990)
Literature Reference DOI 10.1002/cber.19901230413
Molecular Weight 394.362 g/mol
Solvent ACETONE-D6
Source File Reference UWCS13471