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Benzamide, 3-trifluoromethyl-2-fluoro-N-(3-trifluoromethyl-2-fluorobenzoyl)-N-tetradecyl-
SpectraBase Compound ID IidxaPKYn50
InChI InChI=1S/C30H35F8NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-39(27(40)21-16-14-18-23(25(21)31)29(33,34)35)28(41)22-17-15-19-24(26(22)32)30(36,37)38/h14-19H,2-13,20H2,1H3
InChIKey YVEJGBOTHWXNTL-UHFFFAOYSA-N
Mol Weight 593.6 g/mol
Molecular Formula C30H35F8NO2
Exact Mass 593.254005 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6rPaKcUavWi
Name Benzamide, 3-trifluoromethyl-2-fluoro-N-(3-trifluoromethyl-2-fluorobenzoyl)-N-tetradecyl-
Comments Computed using HOSE algorithm
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Exact Mass 593.254004673 u
Formula C30H35F8NO2
InChI InChI=1S/C30H35F8NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-39(27(40)21-16-14-18-23(25(21)31)29(33,34)35)28(41)22-17-15-19-24(26(22)32)30(36,37)38/h14-19H,2-13,20H2,1H3
InChIKey YVEJGBOTHWXNTL-UHFFFAOYSA-N
Molecular Weight 593.602 g/mol
SMILES C(N(CCCCCCCCCCCCCC)C(C1=C(C(C(F)(F)F)=CC=C1)F)=O)(=O)C=1C=CC=C(C(F)(F)F)C1F