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6A,7-DIDEHYDRO-1,9,10-TRIHYDROXY-2-METHOXY-6-METHYLAPORPHINIUM_TRIFLUOROACETATE
SpectraBase Compound ID DkbM6JWicOW
InChI InChI=1S/C19H19NO4.C2HF3O2/c1-20(2)5-4-10-8-16(24-3)19(23)18-12-9-15(22)14(21)7-11(12)6-13(20)17(10)18;3-2(4,5)1(6)7/h6-9H,4-5H2,1-3H3,(H2-,21,22,23);(H,6,7)
InChIKey SBKNQDPIZMRYQD-UHFFFAOYSA-N
Mol Weight 439.39 g/mol
Molecular Formula C21H20F3NO6
Exact Mass 439.124272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4UjyAKxICIx
Name 6A,7-DIDEHYDRO-1,9,10-TRIHYDROXY-2-METHOXY-6-METHYLAPORPHINIUM_TRIFLUOROACETATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20F3NO6
InChI InChI=1S/C19H19NO4.C2HF3O2/c1-20(2)5-4-10-8-16(24-3)19(23)18-12-9-15(22)14(21)7-11(12)6-13(20)17(10)18;3-2(4,5)1(6)7/h6-9H,4-5H2,1-3H3,(H2-,21,22,23);(H,6,7)
InChIKey SBKNQDPIZMRYQD-UHFFFAOYSA-N
Literature Reference Author F.MARTIN,T.GRKOVIC,M.L.SYKES,T.SHELPER,V.M.AVERY,D.CAMP,R.J. QUINN,R.A.DAVIS
Literature Reference Citation J.NAT.PROD.,74,2425(2011)
Literature Reference DOI 10.1021/np200700f
Molecular Weight 439.388 g/mol
Sample ID 39553
Solvent DMSO-D6