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3,5,5-Trimethylhexanamide, N-(2-phenylethyl)-N-ethyl-
SpectraBase Compound ID L7BaVbOhgg
InChI InChI=1S/C19H31NO/c1-6-20(13-12-17-10-8-7-9-11-17)18(21)14-16(2)15-19(3,4)5/h7-11,16H,6,12-15H2,1-5H3
InChIKey LHHIEIMEOQCQEM-UHFFFAOYSA-N
Mol Weight 289.46 g/mol
Molecular Formula C19H31NO
Exact Mass 289.240565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2TLRPXlvqkS
Name 3,5,5-Trimethylhexanamide, N-(2-phenylethyl)-N-ethyl-
Comments Computed using HOSE algorithm
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Exact Mass 289.240564621 u
Formula C19H31NO
InChI InChI=1S/C19H31NO/c1-6-20(13-12-17-10-8-7-9-11-17)18(21)14-16(2)15-19(3,4)5/h7-11,16H,6,12-15H2,1-5H3
InChIKey LHHIEIMEOQCQEM-UHFFFAOYSA-N
Molecular Weight 289.463 g/mol
SMILES C(CC(CC(N(CC)CCC1=CC=CC=C1)=O)C)(C)(C)C