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

*Links on SpectraBase are not permalinks.

(5E)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-1-(2-phenylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

View entire compound with spectra: 2 NMR

(5E)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-1-(2-phenylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID BhtPrJr4ov
InChI InChI=1S/C21H19N3O5/c25-19-16(12-22-11-15-6-7-17-18(10-15)29-13-28-17)20(26)24(21(27)23-19)9-8-14-4-2-1-3-5-14/h1-7,10,12,22H,8-9,11,13H2,(H,23,25,27)/b16-12+
InChIKey FCEFSKURTWKMSA-FOWTUZBSSA-N
Mol Weight 393.4 g/mol
Molecular Formula C21H19N3O5
Exact Mass 393.132471 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID BGQxQq2AIpw
Name (5E)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-1-(2-phenylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.132470719 u
Formula C21H19N3O5
InChI InChI=1S/C21H19N3O5/c25-19-16(12-22-11-15-6-7-17-18(10-15)29-13-28-17)20(26)24(21(27)23-19)9-8-14-4-2-1-3-5-14/h1-7,10,12,22H,8-9,11,13H2,(H,23,25,27)/b16-12+
InChIKey FCEFSKURTWKMSA-FOWTUZBSSA-N
Molecular Weight 393.399 g/mol
SMILES N1C(\C(=C/NCC2=CC=3OCOC3C=C2)C(N(C1=O)CCC=1C=CC=CC1)=O)=O