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N-(4-(2-Benzylphenoxy)butyl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide

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N-(4-(2-Benzylphenoxy)butyl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
SpectraBase Compound ID IWZxnJPqaFq
InChI InChI=1S/C22H22F7NO2/c1-30(19(31)20(23,24)21(25,26)22(27,28)29)13-7-8-14-32-18-12-6-5-11-17(18)15-16-9-3-2-4-10-16/h2-6,9-12H,7-8,13-15H2,1H3
InChIKey ZETFYKQQBASZCN-UHFFFAOYSA-N
Mol Weight 465.41 g/mol
Molecular Formula C22H22F7NO2
Exact Mass 465.153876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4CKL9TPRYSH
Name N-(4-(2-Benzylphenoxy)butyl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
Comments Computed using HOSE algorithm
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Exact Mass 465.153876091 u
Formula C22H22F7NO2
InChI InChI=1S/C22H22F7NO2/c1-30(19(31)20(23,24)21(25,26)22(27,28)29)13-7-8-14-32-18-12-6-5-11-17(18)15-16-9-3-2-4-10-16/h2-6,9-12H,7-8,13-15H2,1H3
InChIKey ZETFYKQQBASZCN-UHFFFAOYSA-N
Molecular Weight 465.412 g/mol
SMILES C1=CC=CC=C1CC1=C(C=CC=C1)OCCCCN(C)C(=O)C(F)(F)C(C(F)(F)F)(F)F