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2-{[(E)-(1-benzyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-N,N,N-trimethylethanaminium iodide
SpectraBase Compound ID GJZZF7LvrEa
InChI InChI=1S/C17H22N4O3.HI/c1-21(2,3)10-9-18-11-14-15(22)19-17(24)20(16(14)23)12-13-7-5-4-6-8-13;/h4-8,11H,9-10,12H2,1-3H3,(H-,18,19,22,23,24);1H
InChIKey UVPGRPDUTWZTGZ-UHFFFAOYSA-N
Mol Weight 458.3 g/mol
Molecular Formula C17H23IN4O3
Exact Mass 458.081486 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HoCvKB96udE
Name 2-{[(E)-(1-benzyl-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/C17H22N4O3.HI/c1-21(2,3)10-9-18-11-14-15(22)19-17(24)20(16(14)23)12-13-7-5-4-6-8-13;/h4-8,11H,9-10,12H2,1-3H3,(H-,18,19,22,23,24);1H
InChIKey UVPGRPDUTWZTGZ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17539
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: D28640; Labnumber: KKA-0211-0308; SBI_ID: SBI-017542
Synonyms 2-{[(1-benzyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-N,N,N-trimethylethanaminium iodide
Temperature 308 °C