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5-Imino-2-propyl-6-(2-thienylmethylene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 4MxE4NjL0oJ
InChI InChI=1S/C13H12N4OS2/c1-2-4-10-16-17-11(14)9(7-8-5-3-6-19-8)12(18)15-13(17)20-10/h3,5-7,14H,2,4H2,1H3/b9-7-,14-11?
InChIKey XKRWLTZAWSTQFM-KRMPGRMBSA-N
Mol Weight 304.39 g/mol
Molecular Formula C13H12N4OS2
Exact Mass 304.045253 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LhkbTwS2IRI
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-2-propyl-6-(2-thienylmethylene)-, (6Z)-
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/C13H12N4OS2/c1-2-4-10-16-17-11(14)9(7-8-5-3-6-19-8)12(18)15-13(17)20-10/h3,5-7,14H,2,4H2,1H3/b9-7-,14-11?
InChIKey XKRWLTZAWSTQFM-KRMPGRMBSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_3064
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: ZI/10034024; Labnumber: CEP-6700006