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2-{[(Z)-(1-(4-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-1,3-benzothiazol-6-yl thiocyanate

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2-{[(Z)-(1-(4-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-1,3-benzothiazol-6-yl thiocyanate
SpectraBase Compound ID Fo9OC9URVjC
InChI InChI=1S/C20H13N5O3S2/c1-11-2-4-12(5-3-11)25-18(27)14(17(26)24-20(25)28)9-22-19-23-15-7-6-13(29-10-21)8-16(15)30-19/h2-9H,1H3,(H,22,23)(H,24,26,28)/b14-9-
InChIKey QAHLVZFYOVGVSU-ZROIWOOFSA-N
Mol Weight 435.48 g/mol
Molecular Formula C20H13N5O3S2
Exact Mass 435.045982 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID xgkAyleHug
Name 2-{[(Z)-(1-(4-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-1,3-benzothiazol-6-yl thiocyanate
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/C20H13N5O3S2/c1-11-2-4-12(5-3-11)25-18(27)14(17(26)24-20(25)28)9-22-19-23-15-7-6-13(29-10-21)8-16(15)30-19/h2-9H,1H3,(H,22,23)(H,24,26,28)/b14-9-
InChIKey QAHLVZFYOVGVSU-ZROIWOOFSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13419
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: UZI/9127832; UBI_ID: UBI-013422
Synonyms 2-{[(1-(4-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-1,3-benzothiazol-6-yl thiocyanate
Temperature 308 °C