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5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 2Qh7W3oSu0e
InChI InChI=1S/C13H11N3O4S/c17-11-8(12(18)16-13(21)15-11)5-14-4-7-1-2-9-10(3-7)20-6-19-9/h1-3,5,14H,4,6H2,(H2,15,16,17,18,21)
InChIKey ZXMXHPKFBIFNQT-UHFFFAOYSA-N
Mol Weight 305.31 g/mol
Molecular Formula C13H11N3O4S
Exact Mass 305.047027 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8skelfqINom
Name 5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-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/C13H11N3O4S/c17-11-8(12(18)16-13(21)15-11)5-14-4-7-1-2-9-10(3-7)20-6-19-9/h1-3,5,14H,4,6H2,(H2,15,16,17,18,21)
InChIKey ZXMXHPKFBIFNQT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17597
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: D28733; Labnumber: KKA-0211-2149; SBI_ID: SBI-017600
Temperature 308 °C