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Butacaine, N-trifluoroacetyl-

View entire compound with spectra: 1 NMR

Butacaine, N-trifluoroacetyl-
SpectraBase Compound ID IRzE7J7MVOf
InChI InChI=1S/C20H29F3N2O3/c1-3-5-12-25(13-6-4-2)14-7-15-28-18(26)16-8-10-17(11-9-16)24-19(27)20(21,22)23/h8-11H,3-7,12-15H2,1-2H3,(H,24,27)
InChIKey DVSBQCLFKPHNOC-UHFFFAOYSA-N
Mol Weight 402.46 g/mol
Molecular Formula C20H29F3N2O3
Exact Mass 402.213027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2lOlEaCEYqO
Name Butacaine, N-trifluoroacetyl-
Comments Computed using HOSE algorithm
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Exact Mass 402.213027288 u
Formula C20H29F3N2O3
InChI InChI=1S/C20H29F3N2O3/c1-3-5-12-25(13-6-4-2)14-7-15-28-18(26)16-8-10-17(11-9-16)24-19(27)20(21,22)23/h8-11H,3-7,12-15H2,1-2H3,(H,24,27)
InChIKey DVSBQCLFKPHNOC-UHFFFAOYSA-N
Molecular Weight 402.458 g/mol
SMILES C1=C(C=CC(=C1)NC(=O)C(F)(F)F)C(OCCCN(CCCC)CCCC)=O