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2-(dodecan-2-yl)-N-(quinolin-8-yl)-6-(trifluoromethyl)benzamide
SpectraBase Compound ID GULwRS2LFaY
InChI InChI=1S/C29H35F3N2O/c1-3-4-5-6-7-8-9-10-14-21(2)23-17-12-18-24(29(30,31)32)26(23)28(35)34-25-19-11-15-22-16-13-20-33-27(22)25/h11-13,15-21H,3-10,14H2,1-2H3,(H,34,35)
InChIKey MOJXAPHEMHTWPS-UHFFFAOYSA-N
Mol Weight 484.6 g/mol
Molecular Formula C29H35F3N2O
Exact Mass 484.270148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IsJ43X66s2N
Name 2-(dodecan-2-yl)-N-(quinolin-8-yl)-6-(trifluoromethyl)benzamide
Appearance Colorless oil
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Exact Mass 484.270148243 u
Formula C29H35F3N2O
InChI InChI=1S/C29H35F3N2O/c1-3-4-5-6-7-8-9-10-14-21(2)23-17-12-18-24(29(30,31)32)26(23)28(35)34-25-19-11-15-22-16-13-20-33-27(22)25/h11-13,15-21H,3-10,14H2,1-2H3,(H,34,35)
InChIKey MOJXAPHEMHTWPS-UHFFFAOYSA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201901300
Molecular Weight 484.607 g/mol
Quality 58
Reported Formula C29H35F3N2O
SMILES N(C(C1=C(C(C)CCCCCCCCCC)C=CC=C1C(F)(F)F)=O)C1=CC=CC2=C1N=CC=C2
SPLASH splash10-03di-0651900000-15f7e4cc6597a78fcace
Sample Comments linear:branched = 59:41
Source of Spectrum QE-25-SM26-7 (DOI: 10.1002/chem.201901300)
Thin-Layer Chromatography 0.57 (hexane/EtOAc, 3:1)
Wiley ID 1891522