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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) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2cnLG7XTQte
Name Butyl nicotinate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number B98409
CAS Registry Number 6938-06-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. 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
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms N-Butyl nicotinate Butyl 3-pyridinecarboxylate
Wiley ID SIAL_13CNMR_011013