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Benzamide, 2-fluoro-3-trifluoromethyl-N-pentyl-N-dodecyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

Benzamide, 2-fluoro-3-trifluoromethyl-N-pentyl-N-dodecyl-
SpectraBase Compound ID IeDXh68uauN
InChI InChI=1S/C25H39F4NO/c1-3-5-7-8-9-10-11-12-13-15-20-30(19-14-6-4-2)24(31)21-17-16-18-22(23(21)26)25(27,28)29/h16-18H,3-15,19-20H2,1-2H3
InChIKey LOMJLKIUCCLNRK-UHFFFAOYSA-N
Mol Weight 445.6 g/mol
Molecular Formula C25H39F4NO
Exact Mass 445.296778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6hDkW1PGd4H
Name Benzamide, 2-fluoro-3-trifluoromethyl-N-pentyl-N-dodecyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.296777531 u
Formula C25H39F4NO
InChI InChI=1S/C25H39F4NO/c1-3-5-7-8-9-10-11-12-13-15-20-30(19-14-6-4-2)24(31)21-17-16-18-22(23(21)26)25(27,28)29/h16-18H,3-15,19-20H2,1-2H3
InChIKey LOMJLKIUCCLNRK-UHFFFAOYSA-N
Molecular Weight 445.587 g/mol
SMILES C1=CC=C(C(=C1C(=O)N(CCCCC)CCCCCCCCCCCC)F)C(F)(F)F