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Isonipecotic acid, N-benzyloxycarbonyl-, hexyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-benzyloxycarbonyl-, hexyl ester
SpectraBase Compound ID LSJRUjCfmhl
InChI InChI=1S/C20H29NO4/c1-2-3-4-8-15-24-19(22)18-11-13-21(14-12-18)20(23)25-16-17-9-6-5-7-10-17/h5-7,9-10,18H,2-4,8,11-16H2,1H3
InChIKey DZLGMULCEYWVCI-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 9zpomQ55W4J
Name Isonipecotic acid, N-benzyloxycarbonyl-, hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.209658414 u
Formula C20H29NO4
InChI InChI=1S/C20H29NO4/c1-2-3-4-8-15-24-19(22)18-11-13-21(14-12-18)20(23)25-16-17-9-6-5-7-10-17/h5-7,9-10,18H,2-4,8,11-16H2,1H3
InChIKey DZLGMULCEYWVCI-UHFFFAOYSA-N
Molecular Weight 347.455 g/mol
SMILES C1C(CCN(C1)C(OCC1=CC=CC=C1)=O)C(=O)OCCCCCC