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Isonipecotic acid, N-(3-methylbenzoyl)-, decyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(3-methylbenzoyl)-, decyl ester
SpectraBase Compound ID HWCifUpsHOO
InChI InChI=1S/C24H37NO3/c1-3-4-5-6-7-8-9-10-18-28-24(27)21-14-16-25(17-15-21)23(26)22-13-11-12-20(2)19-22/h11-13,19,21H,3-10,14-18H2,1-2H3
InChIKey TWUAQGNUVCELKP-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 BJ1ZRaDM2vC
Name Isonipecotic acid, N-(3-methylbenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 387.277344052 u
Formula C24H37NO3
InChI InChI=1S/C24H37NO3/c1-3-4-5-6-7-8-9-10-18-28-24(27)21-14-16-25(17-15-21)23(26)22-13-11-12-20(2)19-22/h11-13,19,21H,3-10,14-18H2,1-2H3
InChIKey TWUAQGNUVCELKP-UHFFFAOYSA-N
Molecular Weight 387.564 g/mol
SMILES CCCCCCCCCCOC(C1CCN(C(=O)C2=CC(=CC=C2)C)CC1)=O