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Benzamide, pentafluoro-N-(2-phenylethyl)-N-hexyl-
SpectraBase Compound ID IBJxiEIVo2L
InChI InChI=1S/C21H22F5NO/c1-2-3-4-8-12-27(13-11-14-9-6-5-7-10-14)21(28)15-16(22)18(24)20(26)19(25)17(15)23/h5-7,9-10H,2-4,8,11-13H2,1H3
InChIKey IBSNHEZOSHHMKF-UHFFFAOYSA-N
Mol Weight 399.41 g/mol
Molecular Formula C21H22F5NO
Exact Mass 399.162155 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EkwZHW3BOjO
Name Benzamide, pentafluoro-N-(2-phenylethyl)-N-hexyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.162155146 u
Formula C21H22F5NO
InChI InChI=1S/C21H22F5NO/c1-2-3-4-8-12-27(13-11-14-9-6-5-7-10-14)21(28)15-16(22)18(24)20(26)19(25)17(15)23/h5-7,9-10H,2-4,8,11-13H2,1H3
InChIKey IBSNHEZOSHHMKF-UHFFFAOYSA-N
Molecular Weight 399.405 g/mol
SMILES C1=CC=CC(=C1)CCN(C(=O)C=1C(=C(C(F)=C(C1F)F)F)F)CCCCCC