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MO-(N-2-TERT.-BUTYL-C6H4)-(CHCME3)(O2CPH3)(2)

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MO-(N-2-TERT.-BUTYL-C6H4)-(CHCME3)(O2CPH3)(2)
SpectraBase Compound ID D3qDNPION1p
InChI InChI=1S/2C20H16O2.C10H13N.C5H10.Mo/c2*21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(2,3)8-6-4-5-7-9(8)11;1-5(2,3)4;/h2*1-15H,(H,21,22);4-7H,1-3H3;1H,2-4H3;/q;;;;+2/p-2
InChIKey GKWKUXFTLPEWKK-UHFFFAOYSA-L
Mol Weight 888.0 g/mol
Molecular Formula C55H53MoNO4
Exact Mass 889.302863 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5BJp3kMT81h
Name MO-(N-2-TERT.-BUTYL-C6H4)-(CHCME3)(O2CPH3)(2)
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H53MoNO4
InChI InChI=1S/2C20H16O2.C10H13N.C5H10.Mo/c2*21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(2,3)8-6-4-5-7-9(8)11;1-5(2,3)4;/h2*1-15H,(H,21,22);4-7H,1-3H3;1H,2-4H3;/q;;;;+2/p-2
InChIKey GKWKUXFTLPEWKK-UHFFFAOYSA-L
Literature Reference Author F.J.SCHATTENMANN,R.R.SCHROCK,W.M.DAVIS
Literature Reference Citation J.AM.CHEM.SOC.,118,3295(1996)
Literature Reference DOI 10.1021/ja9541600
Molecular Weight 887.970 g/mol
Sample ID 38301
Solvent CD2Cl2