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(5E)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-1-cyclopropyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 9GMAaAjbdDE
InChI InChI=1S/C16H15N3O4S/c20-14-11(15(21)19(10-2-3-10)16(24)18-14)7-17-6-9-1-4-12-13(5-9)23-8-22-12/h1,4-5,7,10,17H,2-3,6,8H2,(H,18,20,24)/b11-7+
InChIKey VKSKXBMKYKERPF-YRNVUSSQSA-N
Mol Weight 345.37 g/mol
Molecular Formula C16H15N3O4S
Exact Mass 345.078327 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6gTOZanCsxy
Name (5E)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-1-cyclopropyl-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/C16H15N3O4S/c20-14-11(15(21)19(10-2-3-10)16(24)18-14)7-17-6-9-1-4-12-13(5-9)23-8-22-12/h1,4-5,7,10,17H,2-3,6,8H2,(H,18,20,24)/b11-7+
InChIKey VKSKXBMKYKERPF-YRNVUSSQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17663
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: D28893; Labnumber: KKA-0211-3947; SBI_ID: SBI-017666
Synonyms 5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-1-cyclopropyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 318 °C