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Picolinyl 16-pentacosenoate

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

Picolinyl 16-pentacosenoate
SpectraBase Compound ID 84tMTIcbJr
InChI InChI=1S/C31H53NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-31(33)34-29-30-25-24-27-32-28-30/h9-10,24-25,27-28H,2-8,11-23,26,29H2,1H3/b10-9-
InChIKey NDDWOBVBDHNNOD-KTKRTIGZSA-N
Mol Weight 471.8 g/mol
Molecular Formula C31H53NO2
Exact Mass 471.40763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2FH5FNofVun
Name Picolinyl 16-pentacosenoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 471.407629949 u
Formula C31H53NO2
InChI InChI=1S/C31H53NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-31(33)34-29-30-25-24-27-32-28-30/h9-10,24-25,27-28H,2-8,11-23,26,29H2,1H3/b10-9-
InChIKey NDDWOBVBDHNNOD-KTKRTIGZSA-N
Molecular Weight 471.770 g/mol
SMILES C(CC(=O)OCC1=CC=CN=C1)CCCCCCCCCCCC\C=C/CCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912909