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.beta.-Alanine, N-caproyl-, hexyl ester
SpectraBase Compound ID OLovMOrd46
InChI InChI=1S/C15H29NO3/c1-3-5-7-9-13-19-15(18)11-12-16-14(17)10-8-6-4-2/h3-13H2,1-2H3,(H,16,17)
InChIKey FOTFIIGLERIXMU-UHFFFAOYSA-N
Mol Weight 271.4 g/mol
Molecular Formula C15H29NO3
Exact Mass 271.214744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HHvuo8XtFmZ
Name .beta.-Alanine, N-caproyl-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 271.214743795 u
Formula C15H29NO3
InChI InChI=1S/C15H29NO3/c1-3-5-7-9-13-19-15(18)11-12-16-14(17)10-8-6-4-2/h3-13H2,1-2H3,(H,16,17)
InChIKey FOTFIIGLERIXMU-UHFFFAOYSA-N
Molecular Weight 271.401 g/mol
SMILES CCCCCC(NCCC(OCCCCCC)=O)=O