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PNMBJANOQCTHFS-UHFFFAOYSA-M

View entire compound with spectra: 2 NMR

PNMBJANOQCTHFS-UHFFFAOYSA-M
SpectraBase Compound ID IqccU6Q4Dma
InChI InChI=1S/C10H15.C2H3O.CHF3O3S.CO.Re/c1-6-7(2)9(4)10(5)8(6)3;1-2-3;2-1(3,4)8(5,6)7;1-2;/h1-5H3;1H3;(H,5,6,7);;/q;;;;+1/p-1
InChIKey PNMBJANOQCTHFS-UHFFFAOYSA-M
Mol Weight 541.56 g/mol
Molecular Formula C14H18F3O5ReS
Exact Mass 542.038456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DorPqsmHC99
Name PNMBJANOQCTHFS-UHFFFAOYSA-M
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H18F3O5ReS
InChI InChI=1S/C10H15.C2H3O.CHF3O3S.CO.Re/c1-6-7(2)9(4)10(5)8(6)3;1-2-3;2-1(3,4)8(5,6)7;1-2;/h1-5H3;1H3;(H,5,6,7);;/q;;;;+1/p-1
InChIKey PNMBJANOQCTHFS-UHFFFAOYSA-M
Literature Reference Author J.R.KRUMPER,R.L.MARTIN,P.J.HAY,C.M.YUNG,J.VELTHEER,R.G.BERGM AN
Literature Reference Citation J.AM.CHEM.SOC.,126,14804(2004)
Literature Reference DOI 10.1021/ja0468877
Molecular Weight 541.556 g/mol
Solvent C6D6
Source File Reference UWLU34909