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Nicotinic acid, undecyl ester

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

Nicotinic acid, undecyl ester
SpectraBase Compound ID 4HLGZElzRfu
InChI InChI=1S/C17H27NO2/c1-2-3-4-5-6-7-8-9-10-14-20-17(19)16-12-11-13-18-15-16/h11-13,15H,2-10,14H2,1H3
InChIKey OWEZDQWMGDOLFG-UHFFFAOYSA-N
Mol Weight 277.41 g/mol
Molecular Formula C17H27NO2
Exact Mass 277.204179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 230ID3aghXH
Name Nicotinic acid, undecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.204179111 u
Formula C17H27NO2
InChI InChI=1S/C17H27NO2/c1-2-3-4-5-6-7-8-9-10-14-20-17(19)16-12-11-13-18-15-16/h11-13,15H,2-10,14H2,1H3
InChIKey OWEZDQWMGDOLFG-UHFFFAOYSA-N
Molecular Weight 277.408 g/mol
SMILES C1=NC=C(C=C1)C(OCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907283