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Isonipecotic acid, N-benzoyl-, tridecyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-benzoyl-, tridecyl ester
SpectraBase Compound ID ml8VSI79aA
InChI InChI=1S/C26H41NO3/c1-2-3-4-5-6-7-8-9-10-11-15-22-30-26(29)24-18-20-27(21-19-24)25(28)23-16-13-12-14-17-23/h12-14,16-17,24H,2-11,15,18-22H2,1H3
InChIKey JEFLXDMTLFOBEF-UHFFFAOYSA-N
Mol Weight 415.6 g/mol
Molecular Formula C26H41NO3
Exact Mass 415.308644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3yaXTB7lq70
Name Isonipecotic acid, N-benzoyl-, tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.308644181 u
Formula C26H41NO3
InChI InChI=1S/C26H41NO3/c1-2-3-4-5-6-7-8-9-10-11-15-22-30-26(29)24-18-20-27(21-19-24)25(28)23-16-13-12-14-17-23/h12-14,16-17,24H,2-11,15,18-22H2,1H3
InChIKey JEFLXDMTLFOBEF-UHFFFAOYSA-N
Molecular Weight 415.618 g/mol
SMILES CCCCCCCCCCCCCOC(C1CCN(C(=O)C2=CC=CC=C2)CC1)=O