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[5-ETA-C5H5(CO)3W(2-ETA-ETOCH=CHCH3)]BARF4

View entire compound with spectra: 1 NMR

[5-ETA-C5H5(CO)3W(2-ETA-ETOCH=CHCH3)]BARF4
SpectraBase Compound ID C4vwpbGWbz3
InChI InChI=1S/C32H12BF24.C5H8O.C5H.3CO.W/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-3-5-6-4-2;1-2-4-5-3-1;3*1-2;/h1-12H;4H2,1-2H3;1H;;;;/q-1;;;;;;+1
InChIKey IKDPDEVAIDVKDR-UHFFFAOYSA-N
Mol Weight 1276.27 g/mol
Molecular Formula C45H21BF24O4W
Exact Mass 1276.065898 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9QEf6e3JVtO
Name [5-ETA-C5H5(CO)3W(2-ETA-ETOCH=CHCH3)]BARF4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H21BF24O4W
InChI InChI=1S/C32H12BF24.C5H8O.C5H.3CO.W/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-3-5-6-4-2;1-2-4-5-3-1;3*1-2;/h1-12H;4H2,1-2H3;1H;;;;/q-1;;;;;;+1
InChIKey IKDPDEVAIDVKDR-UHFFFAOYSA-N
Literature Reference Author J.SONG,D.J.SZALDA,R.M.BULLOCK
Literature Reference Citation J.AM.CHEM.SOC.,118,11134(1996)
Literature Reference DOI 10.1021/ja962193p
Molecular Weight 1276.281 g/mol
Sample ID 52178
Solvent CD2Cl2