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5-(1,3-benzodioxol-5-ylmethyl)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

View entire compound with spectra: 1 NMR

5-(1,3-benzodioxol-5-ylmethyl)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 550fzmTRgpi
InChI InChI=1S/C14H14N2O4S/c1-15-12(17)9(13(18)16(2)14(15)21)5-8-3-4-10-11(6-8)20-7-19-10/h3-4,6,9H,5,7H2,1-2H3
InChIKey CUNZHFDSPUHLPB-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 JDpNDMlm417
Name 5-(1,3-benzodioxol-5-ylmethyl)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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/c1-15-12(17)9(13(18)16(2)14(15)21)5-8-3-4-10-11(6-8)20-7-19-10/h3-4,6,9H,5,7H2,1-2H3
InChIKey CUNZHFDSPUHLPB-UHFFFAOYSA-N
NMR Offset 16.9582
NMR Spectrometer Frequency 500.131
Observed nucleus 1H
Origin 1H_ASIOH_7000_5406
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: NMR/10321841; Labnumber: LP-1709059; IOH_ID: IOH-005407