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3-Picolinyl hexadec-11-enoate

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

3-Picolinyl hexadec-11-enoate
SpectraBase Compound ID HotS2e1AoiK
InChI InChI=1S/C22H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22(24)25-20-21-16-15-18-23-19-21/h5-6,15-16,18-19H,2-4,7-14,17,20H2,1H3/b6-5+
InChIKey GLNMQKYIRXAKTN-AATRIKPKSA-N
Mol Weight 345.5 g/mol
Molecular Formula C22H35NO2
Exact Mass 345.266779 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L86SqutWbFo
Name 3-Picolinyl hexadec-11-enoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.266779369 u
Formula C22H35NO2
InChI InChI=1S/C22H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22(24)25-20-21-16-15-18-23-19-21/h5-6,15-16,18-19H,2-4,7-14,17,20H2,1H3/b6-5+
InChIKey GLNMQKYIRXAKTN-AATRIKPKSA-N
Molecular Weight 345.527 g/mol
SMILES C(=O)(OCC1=CN=CC=C1)CCCCCCCCC\C=C\CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945121