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

*Links on SpectraBase are not permalinks.

2-Nicotinoyl-1,3-dioctadecanoylglycerol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Nicotinoyl-1,3-dioctadecanoylglycerol
SpectraBase Compound ID 7Kdk14zqCMM
InChI InChI=1S/C45H79NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-43(47)50-39-42(52-45(49)41-34-33-37-46-38-41)40-51-44(48)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-38,42H,3-32,35-36,39-40H2,1-2H3
InChIKey RLDWYZXXQUSGGP-UHFFFAOYSA-N
Mol Weight 730.1 g/mol
Molecular Formula C45H79NO6
Exact Mass 729.590739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID FAkUO9Z7snt
Name 2-Nicotinoyl-1,3-dioctadecanoylglycerol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 729.590739262 u
Formula C45H79NO6
InChI InChI=1S/C45H79NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-43(47)50-39-42(52-45(49)41-34-33-37-46-38-41)40-51-44(48)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-38,42H,3-32,35-36,39-40H2,1-2H3
InChIKey RLDWYZXXQUSGGP-UHFFFAOYSA-N
Molecular Weight 730.128 g/mol
SMILES C(C1=CN=CC=C1)(OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)=O