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5-Hydroxydopamine, N,o,o',o''-tetrakis(trifluoroacetyl)-

View entire compound with spectra: 1 NMR

5-Hydroxydopamine, N,o,o',o''-tetrakis(trifluoroacetyl)-
SpectraBase Compound ID 30LpZ5eZ7pS
InChI InChI=1S/C16H7F12NO7/c17-13(18,19)9(30)29-2-1-5-3-6(34-10(31)14(20,21)22)8(36-12(33)16(26,27)28)7(4-5)35-11(32)15(23,24)25/h3-4H,1-2H2,(H,29,30)
InChIKey WCBJTAYTOOQZET-UHFFFAOYSA-N
Mol Weight 553.21 g/mol
Molecular Formula C16H7F12NO7
Exact Mass 553.00309 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ICwyw0q0hHA
Name 5-Hydroxydopamine, N,o,o',o''-tetrakis(trifluoroacetyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 553.003089518 u
Formula C16H7F12NO7
InChI InChI=1S/C16H7F12NO7/c17-13(18,19)9(30)29-2-1-5-3-6(34-10(31)14(20,21)22)8(36-12(33)16(26,27)28)7(4-5)35-11(32)15(23,24)25/h3-4H,1-2H2,(H,29,30)
InChIKey WCBJTAYTOOQZET-UHFFFAOYSA-N
Molecular Weight 553.213 g/mol
SMILES C(NC(=O)C(F)(F)F)CC1=CC(OC(=O)C(F)(F)F)=C(OC(=O)C(F)(F)F)C(=C1)OC(=O)C(F)(F)F