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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2-furoyl)-, dodecyl ester
SpectraBase Compound ID 7uMthXZMfXW
InChI InChI=1S/C23H37NO4/c1-2-3-4-5-6-7-8-9-10-11-18-28-23(26)20-14-16-24(17-15-20)22(25)21-13-12-19-27-21/h12-13,19-20H,2-11,14-18H2,1H3
InChIKey DXVFLTUKOQPEDT-UHFFFAOYSA-N
Mol Weight 391.6 g/mol
Molecular Formula C23H37NO4
Exact Mass 391.272259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jhq7qwxFMpR
Name Isonipecotic acid, N-(2-furoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 391.272258671 u
Formula C23H37NO4
InChI InChI=1S/C23H37NO4/c1-2-3-4-5-6-7-8-9-10-11-18-28-23(26)20-14-16-24(17-15-20)22(25)21-13-12-19-27-21/h12-13,19-20H,2-11,14-18H2,1H3
InChIKey DXVFLTUKOQPEDT-UHFFFAOYSA-N
Molecular Weight 391.552 g/mol
SMILES C(N1CCC(C(OCCCCCCCCCCCC)=O)CC1)(=O)C1=CC=CO1