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Benzamide, pentafluoro-N-(2-phenylethyl)-N-tetradecyl-
SpectraBase Compound ID CKCFmCcUwEw
InChI InChI=1S/C29H38F5NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-20-35(21-19-22-17-14-13-15-18-22)29(36)23-24(30)26(32)28(34)27(33)25(23)31/h13-15,17-18H,2-12,16,19-21H2,1H3
InChIKey KIMQAGVUBHKLNN-UHFFFAOYSA-N
Mol Weight 511.6 g/mol
Molecular Formula C29H38F5NO
Exact Mass 511.287356 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ENSGBsXcKHk
Name Benzamide, pentafluoro-N-(2-phenylethyl)-N-tetradecyl-
Comments Computed using HOSE algorithm
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Exact Mass 511.287355662 u
Formula C29H38F5NO
InChI InChI=1S/C29H38F5NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-20-35(21-19-22-17-14-13-15-18-22)29(36)23-24(30)26(32)28(34)27(33)25(23)31/h13-15,17-18H,2-12,16,19-21H2,1H3
InChIKey KIMQAGVUBHKLNN-UHFFFAOYSA-N
Molecular Weight 511.621 g/mol
SMILES C1=CC=CC(=C1)CCN(C(=O)C=1C(=C(C(F)=C(C1F)F)F)F)CCCCCCCCCCCCCC