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Isonipecotic acid, N-(4-methylbenzoyl)-, decyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(4-methylbenzoyl)-, decyl ester
SpectraBase Compound ID E8flJJFiyS0
InChI InChI=1S/C24H37NO3/c1-3-4-5-6-7-8-9-10-19-28-24(27)22-15-17-25(18-16-22)23(26)21-13-11-20(2)12-14-21/h11-14,22H,3-10,15-19H2,1-2H3
InChIKey VOBQITLNZDHJAJ-UHFFFAOYSA-N
Mol Weight 387.6 g/mol
Molecular Formula C24H37NO3
Exact Mass 387.277344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GvYIoVtI0sQ
Name Isonipecotic acid, N-(4-methylbenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 387.277344052 u
Formula C24H37NO3
InChI InChI=1S/C24H37NO3/c1-3-4-5-6-7-8-9-10-19-28-24(27)22-15-17-25(18-16-22)23(26)21-13-11-20(2)12-14-21/h11-14,22H,3-10,15-19H2,1-2H3
InChIKey VOBQITLNZDHJAJ-UHFFFAOYSA-N
Molecular Weight 387.564 g/mol
SMILES CCCCCCCCCCOC(C1CCN(C(=O)C2=CC=C(C=C2)C)CC1)=O