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Tetradecan-1-ol, nicotinate

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

Tetradecan-1-ol, nicotinate
SpectraBase Compound ID BFpyPgoI5iz
InChI InChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-20(22)19-15-14-16-21-18-19/h14-16,18H,2-13,17H2,1H3
InChIKey TVGLGJWCZSCAEM-UHFFFAOYSA-N
Mol Weight 319.5 g/mol
Molecular Formula C20H33NO2
Exact Mass 319.251129 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3Mg4oYzEXkD
Name Tetradecan-1-ol, nicotinate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.251129305 u
Formula C20H33NO2
InChI InChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-20(22)19-15-14-16-21-18-19/h14-16,18H,2-13,17H2,1H3
InChIKey TVGLGJWCZSCAEM-UHFFFAOYSA-N
Molecular Weight 319.489 g/mol
SMILES C1=CC(C(=O)OCCCCCCCCCCCCCC)=CN=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904727