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Dobutamine, N,o,o',o''-tetrakis(trifluoroacetyl)-

View entire compound with spectra: 1 NMR

Dobutamine, N,o,o',o''-tetrakis(trifluoroacetyl)-
SpectraBase Compound ID DNg1j8JPviY
InChI InChI=1S/C26H19F12NO7/c1-13(2-3-14-4-7-16(8-5-14)44-20(41)24(30,31)32)39(19(40)23(27,28)29)11-10-15-6-9-17(45-21(42)25(33,34)35)18(12-15)46-22(43)26(36,37)38/h4-9,12-13H,2-3,10-11H2,1H3
InChIKey WQOAVMZJUMJWJE-UHFFFAOYSA-N
Mol Weight 685.42 g/mol
Molecular Formula C26H19F12NO7
Exact Mass 685.09699 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HVOY0bMk1uO
Name Dobutamine, N,o,o',o''-tetrakis(trifluoroacetyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 685.096989905 u
Formula C26H19F12NO7
InChI InChI=1S/C26H19F12NO7/c1-13(2-3-14-4-7-16(8-5-14)44-20(41)24(30,31)32)39(19(40)23(27,28)29)11-10-15-6-9-17(45-21(42)25(33,34)35)18(12-15)46-22(43)26(36,37)38/h4-9,12-13H,2-3,10-11H2,1H3
InChIKey WQOAVMZJUMJWJE-UHFFFAOYSA-N
Molecular Weight 685.419 g/mol
SMILES C1(CCN(C(CCC2=CC=C(C=C2)OC(C(F)(F)F)=O)C)C(C(F)(F)F)=O)=CC=C(C(=C1)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O