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Benzamide, 2-fluoro-5-trifluoromethyl-N-benzyl-N-hexadecyl-

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Benzamide, 2-fluoro-5-trifluoromethyl-N-benzyl-N-hexadecyl-
SpectraBase Compound ID ApkO2PFYB3G
InChI InChI=1S/C31H43F4NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-36(25-26-19-16-15-17-20-26)30(37)28-24-27(31(33,34)35)21-22-29(28)32/h15-17,19-22,24H,2-14,18,23,25H2,1H3
InChIKey KKDWMFJNCABZED-UHFFFAOYSA-N
Mol Weight 521.7 g/mol
Molecular Formula C31H43F4NO
Exact Mass 521.328078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8SZAzkxV5UZ
Name Benzamide, 2-fluoro-5-trifluoromethyl-N-benzyl-N-hexadecyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 521.328077660 u
Formula C31H43F4NO
InChI InChI=1S/C31H43F4NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-36(25-26-19-16-15-17-20-26)30(37)28-24-27(31(33,34)35)21-22-29(28)32/h15-17,19-22,24H,2-14,18,23,25H2,1H3
InChIKey KKDWMFJNCABZED-UHFFFAOYSA-N
Molecular Weight 521.685 g/mol
SMILES C1=C(C=CC(=C1C(N(CCCCCCCCCCCCCCCC)CC1=CC=CC=C1)=O)F)C(F)(F)F