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Dopamine, N,o,o-tris(pentafluorobenzoyl)-

View entire compound with spectra: 1 NMR

Dopamine, N,o,o-tris(pentafluorobenzoyl)-
SpectraBase Compound ID SlUU7qAYXZ
InChI InChI=1S/C29H8F15NO5/c30-12-9(13(31)19(37)24(42)18(12)36)27(46)45-4-3-6-1-2-7(49-28(47)10-14(32)20(38)25(43)21(39)15(10)33)8(5-6)50-29(48)11-16(34)22(40)26(44)23(41)17(11)35/h1-2,5H,3-4H2,(H,45,46)
InChIKey IDEBYIKODCAFGK-UHFFFAOYSA-N
Mol Weight 735.36 g/mol
Molecular Formula C29H8F15NO5
Exact Mass 735.016295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9QlCj4PVIND
Name Dopamine, N,o,o-tris(pentafluorobenzoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 735.016294802 u
Formula C29H8F15NO5
InChI InChI=1S/C29H8F15NO5/c30-12-9(13(31)19(37)24(42)18(12)36)27(46)45-4-3-6-1-2-7(49-28(47)10-14(32)20(38)25(43)21(39)15(10)33)8(5-6)50-29(48)11-16(34)22(40)26(44)23(41)17(11)35/h1-2,5H,3-4H2,(H,45,46)
InChIKey IDEBYIKODCAFGK-UHFFFAOYSA-N
Molecular Weight 735.361 g/mol
SMILES C1(=C(C(F)=C(C(=C1F)F)F)F)C(OC=1C(OC(C2=C(C(F)=C(F)C(F)=C2F)F)=O)=CC=C(C1)CCNC(C1=C(C(=C(C(=C1F)F)F)F)F)=O)=O