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L-Proline, N-(hexanoyl)-, butyl ester
SpectraBase Compound ID CcdbEYHnzwR
InChI InChI=1S/C15H27NO3/c1-3-5-7-10-14(17)16-11-8-9-13(16)15(18)19-12-6-4-2/h13H,3-12H2,1-2H3
InChIKey XYHCQGIXXAWTQC-UHFFFAOYSA-N
Mol Weight 269.38 g/mol
Molecular Formula C15H27NO3
Exact Mass 269.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IEiM8422uxT
Name L-Proline, N-(hexanoyl)-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 269.199093730 u
Formula C15H27NO3
InChI InChI=1S/C15H27NO3/c1-3-5-7-10-14(17)16-11-8-9-13(16)15(18)19-12-6-4-2/h13H,3-12H2,1-2H3
InChIKey XYHCQGIXXAWTQC-UHFFFAOYSA-N
SMILES C1C(N(C(=O)CCCCC)CC1)C(=O)OCCCC