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N-(2-{7-methoxy-6-[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1,3-benzodioxol-5-yl}ethyl)-N,N'-dimethylthiourea

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N-(2-{7-methoxy-6-[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1,3-benzodioxol-5-yl}ethyl)-N,N'-dimethylthiourea
SpectraBase Compound ID GTOl3O3zo7a
InChI InChI=1S/C18H20N4O6S/c1-19-18(29)22(2)5-4-9-6-12-14(28-8-27-12)13(26-3)10(9)7-11-15(23)20-17(25)21-16(11)24/h6-7H,4-5,8H2,1-3H3,(H,19,29)(H2,20,21,23,24,25)
InChIKey UDMCBZSWIQMBOA-UHFFFAOYSA-N
Mol Weight 420.44 g/mol
Molecular Formula C18H20N4O6S
Exact Mass 420.110356 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4k4IMBlnAzq
Name N-(2-{7-methoxy-6-[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1,3-benzodioxol-5-yl}ethyl)-N,N'-dimethylthiourea
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/C18H20N4O6S/c1-19-18(29)22(2)5-4-9-6-12-14(28-8-27-12)13(26-3)10(9)7-11-15(23)20-17(25)21-16(11)24/h6-7H,4-5,8H2,1-3H3,(H,19,29)(H2,20,21,23,24,25)
InChIKey UDMCBZSWIQMBOA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5628
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: D23167; Labnumber: NC98SP32-1426; SBI_ID: SBI-005630
Temperature 318 °C