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Butanilicaine pentafluorobenzamide

View entire compound with spectra: 1 NMR

Butanilicaine pentafluorobenzamide
SpectraBase Compound ID ALkA9aG0y6T
InChI InChI=1S/C20H18ClF5N2O2/c1-3-4-8-28(9-12(29)27-19-10(2)6-5-7-11(19)21)20(30)13-14(22)16(24)18(26)17(25)15(13)23/h5-7H,3-4,8-9H2,1-2H3,(H,27,29)
InChIKey YATDIVHBOZQSAW-UHFFFAOYSA-N
Mol Weight 448.82 g/mol
Molecular Formula C20H18ClF5N2O2
Exact Mass 448.097696 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JuoF8wV1SVZ
Name Butanilicaine pentafluorobenzamide
Comments Computed using HOSE algorithm
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Exact Mass 448.097696341 u
Formula C20H18ClF5N2O2
InChI InChI=1S/C20H18ClF5N2O2/c1-3-4-8-28(9-12(29)27-19-10(2)6-5-7-11(19)21)20(30)13-14(22)16(24)18(26)17(25)15(13)23/h5-7H,3-4,8-9H2,1-2H3,(H,27,29)
InChIKey YATDIVHBOZQSAW-UHFFFAOYSA-N
Molecular Weight 448.821 g/mol
SMILES C1=C(C(=C(C=C1)Cl)NC(=O)CN(C(=O)C1=C(C(=C(F)C(=C1F)F)F)F)CCCC)C