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Nicotinic acid, tridecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Nicotinic acid, tridecyl ester
SpectraBase Compound ID CYOlaIrZTF8
InChI InChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-22-19(21)18-14-13-15-20-17-18/h13-15,17H,2-12,16H2,1H3
InChIKey HAERFVYPQKXVPN-UHFFFAOYSA-N
Mol Weight 305.46 g/mol
Molecular Formula C19H31NO2
Exact Mass 305.235479 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BwOlUanTloM
Name Nicotinic acid, tridecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 305.235479240 u
Formula C19H31NO2
InChI InChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-22-19(21)18-14-13-15-20-17-18/h13-15,17H,2-12,16H2,1H3
InChIKey HAERFVYPQKXVPN-UHFFFAOYSA-N
Molecular Weight 305.462 g/mol
SMILES C1=NC=C(C=C1)C(OCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930059