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2-{[(4,6-dioxo-1,3-diphenyl-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-N,N,N-trimethylethanaminium iodide
SpectraBase Compound ID 9Drr1BuyNtm
InChI InChI=1S/C22H24N4O2S.HI/c1-26(2,3)15-14-23-16-19-20(27)24(17-10-6-4-7-11-17)22(29)25(21(19)28)18-12-8-5-9-13-18;/h4-13,16H,14-15H2,1-3H3;1H
InChIKey HSRHFLDHOZUDEU-UHFFFAOYSA-N
Mol Weight 536.43 g/mol
Molecular Formula C22H25IN4O2S
Exact Mass 536.074292 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID APJncig3sc0
Name 2-{[(4,6-dioxo-1,3-diphenyl-2-thioxotetrahydro-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/C22H24N4O2S.HI/c1-26(2,3)15-14-23-16-19-20(27)24(17-10-6-4-7-11-17)22(29)25(21(19)28)18-12-8-5-9-13-18;/h4-13,16H,14-15H2,1-3H3;1H
InChIKey HSRHFLDHOZUDEU-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8999
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: D40188; Labnumber: KKA-0211-3656; SBI_ID: SBI-009002
Temperature 306 °C