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TRANS-(CO)5W=C(S-CH2C6H4-PARA-BR)CH3

View entire compound with spectra: 2 NMR

TRANS-(CO)5W=C(S-CH2C6H4-PARA-BR)CH3
SpectraBase Compound ID GyGNRrGfMBU
InChI InChI=1S/C8H7BrS.5CO.W/c1-2-10-8-5-3-7(9)4-6-8;5*1-2;/h3-6H,1H3;;;;;;
InChIKey GJEBKXFQWLKZCL-UHFFFAOYSA-N
Mol Weight 539.0 g/mol
Molecular Formula C13H7BrO5SW
Exact Mass 537.87069 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jj0KwarAD87
Name CIS-(CO)5W=C(S-CH2C6H4-PARA-BR)CH3
Compound Number 16-PARA- BR
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H7BrO5SW
InChI InChI=1S/C8H7BrS.5CO.W/c1-2-10-8-5-3-7(9)4-6-8;5*1-2;/h3-6H,1H3;;;;;;
InChIKey GJEBKXFQWLKZCL-UHFFFAOYSA-N
Literature Reference Author C.F.BERNASCONI,V.RUDDAT
Literature Reference Citation J.AM.CHEM.SOC.,124,14968(2002)
Literature Reference DOI 10.1021/ja020665w
Molecular Weight 539.010 g/mol
Sample ID 47124
Solvent CDCl3