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Nicotinic acid benzyl ester

View entire compound with spectra: 5 NMR, 4 FTIR, 4 MS (GC), and 1 MS (LC)

Nicotinic acid benzyl ester
SpectraBase Compound ID BlBhlucwOKW
InChI InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKey KVYGGMBOZFWZBQ-UHFFFAOYSA-N
Mol Weight 213.24 g/mol
Molecular Formula C13H11NO2
Exact Mass 213.078979 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9ahGWcpSnow
Name Benzyl nicotinate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 377724
CAS Registry Number 94-44-0
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO2
InChI 1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKey KVYGGMBOZFWZBQ-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Nicotinic acid benzyl ester
Wiley ID SIAL_13CNMR_008189