For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Hexadec-9-en-1-ol, nicotinate

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

Hexadec-9-en-1-ol, nicotinate
SpectraBase Compound ID 9kk9D2fc2Cp
InChI InChI=1S/C22H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-22(24)21-17-16-18-23-20-21/h7-8,16-18,20H,2-6,9-15,19H2,1H3/b8-7+
InChIKey UUFYNUWFSFOCEV-BQYQJAHWSA-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID D9QWED8YFsP
Name Hexadec-9-en-1-ol, nicotinate
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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-22(24)21-17-16-18-23-20-21/h7-8,16-18,20H,2-6,9-15,19H2,1H3/b8-7+
InChIKey UUFYNUWFSFOCEV-BQYQJAHWSA-N
Molecular Weight 345.527 g/mol
SMILES C1=CC(C(=O)OCCCCCCCC\C=C\CCCCCC)=CN=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972248