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Benzamide, 4-(trifluoromethyl)-N-(2-phenylethyl)-N-(2-heptyl)-
SpectraBase Compound ID ADFIL2lwjJ7
InChI InChI=1S/C23H28F3NO/c1-3-4-6-9-18(2)27(17-16-19-10-7-5-8-11-19)22(28)20-12-14-21(15-13-20)23(24,25)26/h5,7-8,10-15,18H,3-4,6,9,16-17H2,1-2H3
InChIKey JZAGYLIXRXNUJD-UHFFFAOYSA-N
Mol Weight 391.48 g/mol
Molecular Formula C23H28F3NO
Exact Mass 391.212299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 67DXkl7SlSG
Name Benzamide, 4-(trifluoromethyl)-N-(2-phenylethyl)-N-(2-heptyl)-
Comments Computed using HOSE algorithm
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Exact Mass 391.212299014 u
Formula C23H28F3NO
InChI InChI=1S/C23H28F3NO/c1-3-4-6-9-18(2)27(17-16-19-10-7-5-8-11-19)22(28)20-12-14-21(15-13-20)23(24,25)26/h5,7-8,10-15,18H,3-4,6,9,16-17H2,1-2H3
InChIKey JZAGYLIXRXNUJD-UHFFFAOYSA-N
Molecular Weight 391.478 g/mol
SMILES C1=CC=CC(=C1)CCN(C(=O)C=1C=CC(=CC1)C(F)(F)F)C(CCCCC)C