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Isonipecotic acid, N-benzyloxycarbonyl-, isohexyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-benzyloxycarbonyl-, isohexyl ester
SpectraBase Compound ID DuaM1WLkRAL
InChI InChI=1S/C20H29NO4/c1-16(2)7-6-14-24-19(22)18-10-12-21(13-11-18)20(23)25-15-17-8-4-3-5-9-17/h3-5,8-9,16,18H,6-7,10-15H2,1-2H3
InChIKey MDFGFGKGDRKESF-UHFFFAOYSA-N
Mol Weight 347.46 g/mol
Molecular Formula C20H29NO4
Exact Mass 347.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JTgRBlIasLy
Name Isonipecotic acid, N-benzyloxycarbonyl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 347.209658414 u
Formula C20H29NO4
InChI InChI=1S/C20H29NO4/c1-16(2)7-6-14-24-19(22)18-10-12-21(13-11-18)20(23)25-15-17-8-4-3-5-9-17/h3-5,8-9,16,18H,6-7,10-15H2,1-2H3
InChIKey MDFGFGKGDRKESF-UHFFFAOYSA-N
Molecular Weight 347.455 g/mol
SMILES C1C(CCN(C1)C(OCC1=CC=CC=C1)=O)C(=O)OCCCC(C)C