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GALLOYL_TYRAMINE_TFA_SALT
SpectraBase Compound ID IWkkYfPUaw4
InChI InChI=1S/C15H15NO5.C2HF3O2/c16-6-5-9-1-3-11(4-2-9)21-15(20)10-7-12(17)14(19)13(18)8-10;3-2(4,5)1(6)7/h1-4,7-8,17-19H,5-6,16H2;(H,6,7)
InChIKey XXDZPSFWEDNYSK-UHFFFAOYSA-N
Mol Weight 403.31 g/mol
Molecular Formula C17H16F3NO7
Exact Mass 403.087886 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9GBPOGm95kH
Name GALLOYL_TYRAMINE_TFA_SALT
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16F3NO7
InChI InChI=1S/C15H15NO5.C2HF3O2/c16-6-5-9-1-3-11(4-2-9)21-15(20)10-7-12(17)14(19)13(18)8-10;3-2(4,5)1(6)7/h1-4,7-8,17-19H,5-6,16H2;(H,6,7)
InChIKey XXDZPSFWEDNYSK-UHFFFAOYSA-N
Literature Reference Author R.A.DAVIS,M.M.SIMPSON,R.B.NUGENT,A.E.CARROLL,V.M.AVERY,T.RAL I,H.CHEN,B.QURALLO,R
Literature Reference Citation J.NAT.PROD.,71,451(2008)
Literature Reference DOI 10.1021/np070431w
Molecular Weight 403.312 g/mol
Sample ID 27477
Solvent DMSO-D6