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Eicos-13-en-1-ol, nicotinate

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

Eicos-13-en-1-ol, nicotinate
SpectraBase Compound ID 8u0ltgPjIvn
InChI InChI=1S/C26H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-29-26(28)25-21-20-22-27-24-25/h7-8,20-22,24H,2-6,9-19,23H2,1H3/b8-7-
InChIKey SRLXMAQBJVMJPT-FPLPWBNLSA-N
Mol Weight 401.6 g/mol
Molecular Formula C26H43NO2
Exact Mass 401.32938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GMuD7u5VpQG
Name Eicos-13-en-1-ol, nicotinate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.329379627 u
Formula C26H43NO2
InChI InChI=1S/C26H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-29-26(28)25-21-20-22-27-24-25/h7-8,20-22,24H,2-6,9-19,23H2,1H3/b8-7-
InChIKey SRLXMAQBJVMJPT-FPLPWBNLSA-N
Molecular Weight 401.635 g/mol
SMILES C1=CC(C(=O)OCCCCCCCCCCCC\C=C/CCCCCC)=CN=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958046