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Butyramide, 4-(4-methoxyphenyl)-N-(2-pentyl)-N-dodecyl-
SpectraBase Compound ID BM8pGlDI82q
InChI InChI=1S/C28H49NO2/c1-5-7-8-9-10-11-12-13-14-15-24-29(25(3)17-6-2)28(30)19-16-18-26-20-22-27(31-4)23-21-26/h20-23,25H,5-19,24H2,1-4H3
InChIKey SQUBWJNWPFQBEA-UHFFFAOYSA-N
Mol Weight 431.7 g/mol
Molecular Formula C28H49NO2
Exact Mass 431.37633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FIJIx7v7QHm
Name Butyramide, 4-(4-methoxyphenyl)-N-(2-pentyl)-N-dodecyl-
Comments Computed using HOSE algorithm
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Exact Mass 431.376329820 u
Formula C28H49NO2
InChI InChI=1S/C28H49NO2/c1-5-7-8-9-10-11-12-13-14-15-24-29(25(3)17-6-2)28(30)19-16-18-26-20-22-27(31-4)23-21-26/h20-23,25H,5-19,24H2,1-4H3
InChIKey SQUBWJNWPFQBEA-UHFFFAOYSA-N
Molecular Weight 431.705 g/mol
SMILES CCCC(N(C(=O)CCCC=1C=CC(OC)=CC1)CCCCCCCCCCCC)C