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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(3-bromobenzoyl)-, decyl ester
SpectraBase Compound ID 3p53r7QvT5S
InChI InChI=1S/C23H34BrNO3/c1-2-3-4-5-6-7-8-9-17-28-23(27)19-13-15-25(16-14-19)22(26)20-11-10-12-21(24)18-20/h10-12,18-19H,2-9,13-17H2,1H3
InChIKey IMRRVRZISCFILF-UHFFFAOYSA-N
Mol Weight 452.4 g/mol
Molecular Formula C23H34BrNO3
Exact Mass 451.172207 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KoirQAT0TNc
Name Isonipecotic acid, N-(3-bromobenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 451.172206956 u
Formula C23H34BrNO3
InChI InChI=1S/C23H34BrNO3/c1-2-3-4-5-6-7-8-9-17-28-23(27)19-13-15-25(16-14-19)22(26)20-11-10-12-21(24)18-20/h10-12,18-19H,2-9,13-17H2,1H3
InChIKey IMRRVRZISCFILF-UHFFFAOYSA-N
Molecular Weight 452.433 g/mol
SMILES CCCCCCCCCCOC(C1CCN(C(=O)C2=CC=CC(=C2)Br)CC1)=O