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Isonipecotic acid, N-(2-furoyl)-, undecyl ester

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Isonipecotic acid, N-(2-furoyl)-, undecyl ester
SpectraBase Compound ID HseAWI31NxD
InChI InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-17-27-22(25)19-13-15-23(16-14-19)21(24)20-12-11-18-26-20/h11-12,18-19H,2-10,13-17H2,1H3
InChIKey NYFBFCZAOLMKDH-UHFFFAOYSA-N
Mol Weight 377.5 g/mol
Molecular Formula C22H35NO4
Exact Mass 377.256609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BfHwxkHDUKO
Name Isonipecotic acid, N-(2-furoyl)-, undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.256608607 u
Formula C22H35NO4
InChI InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-17-27-22(25)19-13-15-23(16-14-19)21(24)20-12-11-18-26-20/h11-12,18-19H,2-10,13-17H2,1H3
InChIKey NYFBFCZAOLMKDH-UHFFFAOYSA-N
Molecular Weight 377.525 g/mol
SMILES CCCCCCCCCCCOC(C1CCN(C(=O)C2=CC=CO2)CC1)=O