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2-{[(Z)-(1-[2-(4-fluorophenyl)ethyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-N,N,N-trimethylethanaminium iodide

View entire compound with spectra: 1 NMR

2-{[(Z)-(1-[2-(4-fluorophenyl)ethyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-N,N,N-trimethylethanaminium iodide
SpectraBase Compound ID 80K3DPo1hCB
InChI InChI=1S/C18H23FN4O3.HI/c1-23(2,3)11-9-20-12-15-16(24)21-18(26)22(17(15)25)10-8-13-4-6-14(19)7-5-13;/h4-7,12H,8-11H2,1-3H3,(H-,20,21,24,25,26);1H
InChIKey UMKDWZGGYTUQGH-UHFFFAOYSA-N
Mol Weight 490.32 g/mol
Molecular Formula C18H24FIN4O3
Exact Mass 490.087714 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FvVEsb8ne9l
Name 2-{[(Z)-(1-[2-(4-fluorophenyl)ethyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-N,N,N-trimethylethanaminium iodide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H23FN4O3.HI/c1-23(2,3)11-9-20-12-15-16(24)21-18(26)22(17(15)25)10-8-13-4-6-14(19)7-5-13;/h4-7,12H,8-11H2,1-3H3,(H-,20,21,24,25,26);1H
InChIKey UMKDWZGGYTUQGH-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8965
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D40094; Labnumber: KKA-0211-0370; SBI_ID: SBI-008968
Synonyms 2-{[(1-[2-(4-fluorophenyl)ethyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-N,N,N-trimethylethanaminium iodide
Temperature 308 °C