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Picolinyl 17-tetracosenoate

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

Picolinyl 17-tetracosenoate
SpectraBase Compound ID 6nBWign7ZIp
InChI InChI=1S/C30H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-30(32)33-28-29-24-23-26-31-27-29/h7-8,23-24,26-27H,2-6,9-22,25,28H2,1H3/b8-7-
InChIKey LKXVTINIOJZQKQ-FPLPWBNLSA-N
Mol Weight 457.7 g/mol
Molecular Formula C30H51NO2
Exact Mass 457.39198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3YVrDVRSI0K
Name Picolinyl 17-tetracosenoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 457.391979884 u
Formula C30H51NO2
InChI InChI=1S/C30H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-30(32)33-28-29-24-23-26-31-27-29/h7-8,23-24,26-27H,2-6,9-22,25,28H2,1H3/b8-7-
InChIKey LKXVTINIOJZQKQ-FPLPWBNLSA-N
Molecular Weight 457.743 g/mol
SMILES C(CC(=O)OCC1=CC=CN=C1)CCCCCCCCCCCCC\C=C/CCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935257