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Picolinyl 9-methyl-tetradecanoate

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

Picolinyl 9-methyl-tetradecanoate
SpectraBase Compound ID 7PsI67TXi0G
InChI InChI=1S/C21H35NO2/c1-3-4-8-12-19(2)13-9-6-5-7-10-15-21(23)24-18-20-14-11-16-22-17-20/h11,14,16-17,19H,3-10,12-13,15,18H2,1-2H3
InChIKey PVDXBWIRLVAGLO-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 5XGlMRv5DXK
Name Picolinyl 9-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/c1-3-4-8-12-19(2)13-9-6-5-7-10-15-21(23)24-18-20-14-11-16-22-17-20/h11,14,16-17,19H,3-10,12-13,15,18H2,1-2H3
InChIKey PVDXBWIRLVAGLO-UHFFFAOYSA-N
Molecular Weight 333.516 g/mol
SMILES C(CC(=O)OCC1=CC=CN=C1)CCCCCC(CCCCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.8511