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Nicotinic acid, decyl ester

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

Nicotinic acid, decyl ester
SpectraBase Compound ID E3YHGZ0AZSk
InChI InChI=1S/C16H25NO2/c1-2-3-4-5-6-7-8-9-13-19-16(18)15-11-10-12-17-14-15/h10-12,14H,2-9,13H2,1H3
InChIKey OVSJCKDIBDNMMK-UHFFFAOYSA-N
Mol Weight 263.38 g/mol
Molecular Formula C16H25NO2
Exact Mass 263.188529 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6qyfVyhJALE
Name Nicotinic acid, decyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.188529047 u
Formula C16H25NO2
InChI InChI=1S/C16H25NO2/c1-2-3-4-5-6-7-8-9-13-19-16(18)15-11-10-12-17-14-15/h10-12,14H,2-9,13H2,1H3
InChIKey OVSJCKDIBDNMMK-UHFFFAOYSA-N
Molecular Weight 263.381 g/mol
SMILES C1=NC=C(C=C1)C(OCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.84597