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Isonipecotic acid, N-(3-bromobenzoyl)-, nonyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(3-bromobenzoyl)-, nonyl ester
SpectraBase Compound ID H17creZYfN2
InChI InChI=1S/C22H32BrNO3/c1-2-3-4-5-6-7-8-16-27-22(26)18-12-14-24(15-13-18)21(25)19-10-9-11-20(23)17-19/h9-11,17-18H,2-8,12-16H2,1H3
InChIKey FARWMVBGDGKFCW-UHFFFAOYSA-N
Mol Weight 438.4 g/mol
Molecular Formula C22H32BrNO3
Exact Mass 437.156557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BxFdrENtfI4
Name Isonipecotic acid, N-(3-bromobenzoyl)-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 437.156556891 u
Formula C22H32BrNO3
InChI InChI=1S/C22H32BrNO3/c1-2-3-4-5-6-7-8-16-27-22(26)18-12-14-24(15-13-18)21(25)19-10-9-11-20(23)17-19/h9-11,17-18H,2-8,12-16H2,1H3
InChIKey FARWMVBGDGKFCW-UHFFFAOYSA-N
Molecular Weight 438.406 g/mol
SMILES CCCCCCCCCOC(C1CCN(C(=O)C2=CC=CC(=C2)Br)CC1)=O