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Isonipecotic acid, N-(3-cyclopentylpropionyl)-, dodecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Isonipecotic acid, N-(3-cyclopentylpropionyl)-, dodecyl ester
SpectraBase Compound ID GK9Y5DVPlLF
InChI InChI=1S/C26H47NO3/c1-2-3-4-5-6-7-8-9-10-13-22-30-26(29)24-18-20-27(21-19-24)25(28)17-16-23-14-11-12-15-23/h23-24H,2-22H2,1H3
InChIKey SGKKASDCIUANLK-UHFFFAOYSA-N
Mol Weight 421.7 g/mol
Molecular Formula C26H47NO3
Exact Mass 421.355594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HMh3azGaFwr
Name Isonipecotic acid, N-(3-cyclopentylpropionyl)-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 421.355594374 u
Formula C26H47NO3
InChI InChI=1S/C26H47NO3/c1-2-3-4-5-6-7-8-9-10-13-22-30-26(29)24-18-20-27(21-19-24)25(28)17-16-23-14-11-12-15-23/h23-24H,2-22H2,1H3
InChIKey SGKKASDCIUANLK-UHFFFAOYSA-N
Molecular Weight 421.666 g/mol
SMILES CCCCCCCCCCCCOC(C1CCN(C(=O)CCC2CCCC2)CC1)=O