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Picolinyl 13-methyltetradecanoate

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Picolinyl 13-methyltetradecanoate
SpectraBase Compound ID GipTM4gfb8S
InChI InChI=1S/C21H35NO2/c1-19(2)13-10-8-6-4-3-5-7-9-11-15-21(23)24-18-20-14-12-16-22-17-20/h12,14,16-17,19H,3-11,13,15,18H2,1-2H3
InChIKey BUKLOFCVJAEHLP-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 GazXYYhyrdO
Name Picolinyl 13-methyltetradecanoate
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/c1-19(2)13-10-8-6-4-3-5-7-9-11-15-21(23)24-18-20-14-12-16-22-17-20/h12,14,16-17,19H,3-11,13,15,18H2,1-2H3
InChIKey BUKLOFCVJAEHLP-UHFFFAOYSA-N
Molecular Weight 333.516 g/mol
SMILES C1=CN=CC(=C1)COC(CCCCCCCCCCCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.812484