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methyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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methyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID 9frJpMbgXM8
InChI InChI=1S/C14H14N2O4S/c1-7-11(13(17)18-2)12(16-14(21)15-7)8-3-4-9-10(5-8)20-6-19-9/h3-5,12H,6H2,1-2H3,(H2,15,16,21)
InChIKey QUQRZDUEWOARHA-UHFFFAOYSA-N
Mol Weight 306.34 g/mol
Molecular Formula C14H14N2O4S
Exact Mass 306.067428 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8ZRAw0X78Ds
Name 5-pyrimidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-6-methyl-2-thioxo-, methyl ester
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/C14H14N2O4S/c1-7-11(13(17)18-2)12(16-14(21)15-7)8-3-4-9-10(5-8)20-6-19-9/h3-5,12H,6H2,1-2H3,(H2,15,16,21)
InChIKey QUQRZDUEWOARHA-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_7502
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: ZERO/001446; IOH_ID: IOH-014506
Temperature 297 °C