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nicotinic acid, butyl ester

View entire compound with spectra: 5 NMR, 5 FTIR, 1 MS (GC), and 2 Near IR

nicotinic acid, butyl ester
SpectraBase Compound ID G9NS5YsQa2l
InChI InChI=1S/C10H13NO2/c1-2-3-7-13-10(12)9-5-4-6-11-8-9/h4-6,8H,2-3,7H2,1H3
InChIKey DQULIMIQTCDUAN-UHFFFAOYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C10H13NO2
Exact Mass 179.094629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Ch3VADR7ih
Name DQULIMIQTCDUAN-UHFFFAOYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H13NO2
InChI InChI=1S/C10H13NO2/c1-2-3-7-13-10(12)9-5-4-6-11-8-9/h4-6,8H,2-3,7H2,1H3
InChIKey DQULIMIQTCDUAN-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 179.219 g/mol
Source File Reference MHKO11636