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(6Z)-6-(1,3-benzodioxol-5-ylmethylene)-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID Bzzc0FoEP9v
InChI InChI=1S/C16H14N4O3S/c1-2-3-13-19-20-14(17)10(15(21)18-16(20)24-13)6-9-4-5-11-12(7-9)23-8-22-11/h4-7,17H,2-3,8H2,1H3/b10-6-,17-14?
InChIKey XFYBZHZGNZUATP-JYKJIXMYSA-N
Mol Weight 342.37 g/mol
Molecular Formula C16H14N4O3S
Exact Mass 342.078661 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KqFsTcYavnJ
Name (6Z)-6-(1,3-benzodioxol-5-ylmethylene)-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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/C16H14N4O3S/c1-2-3-13-19-20-14(17)10(15(21)18-16(20)24-13)6-9-4-5-11-12(7-9)23-8-22-11/h4-7,17H,2-3,8H2,1H3/b10-6-,17-14?
InChIKey XFYBZHZGNZUATP-JYKJIXMYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7435
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: 127224; Labnumber: CEP2K-01069; VK_ID: VK-007439
Synonyms 6-(1,3-benzodioxol-5-ylmethylene)-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 315 °C