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Octadeca-9,12-dien-1-ol, nicotinate

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

Octadeca-9,12-dien-1-ol, nicotinate
SpectraBase Compound ID KAxPLcJQKJY
InChI InChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-24(26)23-19-18-20-25-22-23/h6-7,9-10,18-20,22H,2-5,8,11-17,21H2,1H3/b7-6+,10-9+
InChIKey KPSVRONTZHDEMM-AVQMFFATSA-N
Mol Weight 371.6 g/mol
Molecular Formula C24H37NO2
Exact Mass 371.282429 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 81dmTEFPHJQ
Name Octadeca-9,12-dien-1-ol, nicotinate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.282429433 u
Formula C24H37NO2
InChI InChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-24(26)23-19-18-20-25-22-23/h6-7,9-10,18-20,22H,2-5,8,11-17,21H2,1H3/b7-6+,10-9+
InChIKey KPSVRONTZHDEMM-AVQMFFATSA-N
Molecular Weight 371.565 g/mol
SMILES C1=CN=CC(=C1)C(=O)OCCCCCCCC\C=C\C\C=C\CCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966402