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Octadecyl pyridine-2-carboxylate

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Octadecyl pyridine-2-carboxylate
SpectraBase Compound ID J0rtKvYVseB
InChI InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-24(26)23-20-17-18-21-25-23/h17-18,20-21H,2-16,19,22H2,1H3
InChIKey QQMAEGPJWMIOJD-UHFFFAOYSA-N
Mol Weight 375.6 g/mol
Molecular Formula C24H41NO2
Exact Mass 375.31373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DcmBTlr94R
Name Octadecyl pyridine-2-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.313729562 u
Formula C24H41NO2
InChI InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-24(26)23-20-17-18-21-25-23/h17-18,20-21H,2-16,19,22H2,1H3
InChIKey QQMAEGPJWMIOJD-UHFFFAOYSA-N
Molecular Weight 375.597 g/mol
SMILES C=1(C=CC=CN1)C(=O)OCCCCCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926897