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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(4-nitrobenzoyl)-, decyl ester
SpectraBase Compound ID 5k3O9HPptbP
InChI InChI=1S/C23H34N2O5/c1-2-3-4-5-6-7-8-9-18-30-23(27)20-14-16-24(17-15-20)22(26)19-10-12-21(13-11-19)25(28)29/h10-13,20H,2-9,14-18H2,1H3
InChIKey FEWGNLRTUNCQJQ-UHFFFAOYSA-N
Mol Weight 418.5 g/mol
Molecular Formula C23H34N2O5
Exact Mass 418.246772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dm3VpVfEF18
Name Isonipecotic acid, N-(4-nitrobenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.246772198 u
Formula C23H34N2O5
InChI InChI=1S/C23H34N2O5/c1-2-3-4-5-6-7-8-9-18-30-23(27)20-14-16-24(17-15-20)22(26)19-10-12-21(13-11-19)25(28)29/h10-13,20H,2-9,14-18H2,1H3
InChIKey FEWGNLRTUNCQJQ-UHFFFAOYSA-N
Molecular Weight 418.534 g/mol
SMILES CCCCCCCCCCOC(C1CCN(C(=O)C2=CC=C(C=C2)N(=O)=O)CC1)=O