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

*Links on SpectraBase are not permalinks.

Pentadecan-1-ol, nicotinate

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

Pentadecan-1-ol, nicotinate
SpectraBase Compound ID DXEQqy9kQAd
InChI InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-21(23)20-16-15-17-22-19-20/h15-17,19H,2-14,18H2,1H3
InChIKey DDAXSEWWNPAMQN-UHFFFAOYSA-N
Mol Weight 333.5 g/mol
Molecular Formula C21H35NO2
Exact Mass 333.266779 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 6NcSepVF36g
Name Pentadecan-1-ol, nicotinate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.266779369 u
Formula C21H35NO2
InChI InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-21(23)20-16-15-17-22-19-20/h15-17,19H,2-14,18H2,1H3
InChIKey DDAXSEWWNPAMQN-UHFFFAOYSA-N
Molecular Weight 333.516 g/mol
SMILES C1=CC(C(=O)OCCCCCCCCCCCCCCC)=CN=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91652