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N-(4-(2-Benzylphenoxy)butyl)-2,2,3,3,3-pentafluoro-N-methylpropanamide

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N-(4-(2-Benzylphenoxy)butyl)-2,2,3,3,3-pentafluoro-N-methylpropanamide
SpectraBase Compound ID FjAgK8Fo4JA
InChI InChI=1S/C21H22F5NO2/c1-27(19(28)20(22,23)21(24,25)26)13-7-8-14-29-18-12-6-5-11-17(18)15-16-9-3-2-4-10-16/h2-6,9-12H,7-8,13-15H2,1H3
InChIKey JJGGWUMKVULKOU-UHFFFAOYSA-N
Mol Weight 415.4 g/mol
Molecular Formula C21H22F5NO2
Exact Mass 415.15707 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7pNjtw2hjWw
Name N-(4-(2-Benzylphenoxy)butyl)-2,2,3,3,3-pentafluoro-N-methylpropanamide
Comments Computed using HOSE algorithm
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Exact Mass 415.157069765 u
Formula C21H22F5NO2
InChI InChI=1S/C21H22F5NO2/c1-27(19(28)20(22,23)21(24,25)26)13-7-8-14-29-18-12-6-5-11-17(18)15-16-9-3-2-4-10-16/h2-6,9-12H,7-8,13-15H2,1H3
InChIKey JJGGWUMKVULKOU-UHFFFAOYSA-N
Molecular Weight 415.404 g/mol
SMILES C1=CC=CC=C1CC1=C(C=CC=C1)OCCCCN(C)C(=O)C(F)(F)C(F)(F)F