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Picolinyl 3-methyl-tetradecanoate

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Picolinyl 3-methyl-tetradecanoate
SpectraBase Compound ID LETyxrN0RLz
InChI InChI=1S/C21H35NO2/c1-3-4-5-6-7-8-9-10-11-13-19(2)16-21(23)24-18-20-14-12-15-22-17-20/h12,14-15,17,19H,3-11,13,16,18H2,1-2H3
InChIKey UGSLHEBSZXCLMP-UHFFFAOYSA-N
Mol Weight 333.5 g/mol
Molecular Formula C21H35NO2
Exact Mass 333.266779 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Jm9RWqSV76f
Name Picolinyl 3-methyl-tetradecanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.266779369 u
Formula C21H35NO2
InChI InChI=1S/C21H35NO2/c1-3-4-5-6-7-8-9-10-11-13-19(2)16-21(23)24-18-20-14-12-15-22-17-20/h12,14-15,17,19H,3-11,13,16,18H2,1-2H3
InChIKey UGSLHEBSZXCLMP-UHFFFAOYSA-N
Molecular Weight 333.516 g/mol
SMILES C(CC(=O)OCC1=CC=CN=C1)(CCCCCCCCCCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90375