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2-(Ethyl(m-tolyl)amino)ethyl 2,3,4,5,6-pentafluorobenzoate
SpectraBase Compound ID FyR4W8LEkPe
InChI InChI=1S/C18H16F5NO2/c1-3-24(11-6-4-5-10(2)9-11)7-8-26-18(25)12-13(19)15(21)17(23)16(22)14(12)20/h4-6,9H,3,7-8H2,1-2H3
InChIKey MBIZDDGNLXPDRM-UHFFFAOYSA-N
Mol Weight 373.32 g/mol
Molecular Formula C18H16F5NO2
Exact Mass 373.11012 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BUZbHjP1Ox0
Name 2-(Ethyl(m-tolyl)amino)ethyl 2,3,4,5,6-pentafluorobenzoate
Comments Computed using HOSE algorithm
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Exact Mass 373.110119572 u
Formula C18H16F5NO2
InChI InChI=1S/C18H16F5NO2/c1-3-24(11-6-4-5-10(2)9-11)7-8-26-18(25)12-13(19)15(21)17(23)16(22)14(12)20/h4-6,9H,3,7-8H2,1-2H3
InChIKey MBIZDDGNLXPDRM-UHFFFAOYSA-N
Molecular Weight 373.323 g/mol
SMILES C(=O)(C1=C(C(=C(C(=C1F)F)F)F)F)OCCN(C1=CC=CC(=C1)C)CC