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

*Links on SpectraBase are not permalinks.
2,4,6(1H,3H,5H)-pyrimidinetrione, 1,3-dimethyl-5-[(octadecylamino)methylene]-
SpectraBase Compound ID 5PDU7XB0Gc9
InChI InChI=1S/C25H45N3O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-21-22-23(29)27(2)25(31)28(3)24(22)30/h21,26H,4-20H2,1-3H3
InChIKey AIHUKXCVLJFRLG-UHFFFAOYSA-N
Mol Weight 435.7 g/mol
Molecular Formula C25H45N3O3
Exact Mass 435.346092 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 5IZZ3YEihK2
Name 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-[(octadecylamino)methylene]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 435.346092318 u
Formula C25H45N3O3
InChI InChI=1S/C25H45N3O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-21-22-23(29)27(2)25(31)28(3)24(22)30/h21,26H,4-20H2,1-3H3
InChIKey AIHUKXCVLJFRLG-UHFFFAOYSA-N
Molecular Weight 435.653 g/mol
SMILES N(C=C1C(N(C(N(C)C1=O)=O)C)=O)CCCCCCCCCCCCCCCCCC