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(6E)-6-(4-bromobenzylidene)-2-(1-ethylpropyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 5EFaJhhMnf1
InChI InChI=1S/C17H17BrN4OS/c1-3-11(4-2)16-21-22-14(19)13(15(23)20-17(22)24-16)9-10-5-7-12(18)8-6-10/h5-9,11,19H,3-4H2,1-2H3/b13-9+,19-14?
InChIKey XUHBVQNMUMXHQQ-KOKPZHPOSA-N
Mol Weight 405.31 g/mol
Molecular Formula C17H17BrN4OS
Exact Mass 404.030645 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HLhwpIaPWwn
Name (6E)-6-(4-bromobenzylidene)-2-(1-ethylpropyl)-5-imino-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/C17H17BrN4OS/c1-3-11(4-2)16-21-22-14(19)13(15(23)20-17(22)24-16)9-10-5-7-12(18)8-6-10/h5-9,11,19H,3-4H2,1-2H3/b13-9+,19-14?
InChIKey XUHBVQNMUMXHQQ-KOKPZHPOSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28197
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: D80986; Labnumber: CEP4-3683; SBI_ID: SBI-028201
Synonyms 6-(4-bromobenzylidene)-2-(1-ethylpropyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C