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(6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(4-methylbenzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 7hpwXxczJeL
InChI InChI=1S/C20H14N4O3S/c1-11-2-4-12(5-3-11)8-14-17(21)24-20(22-18(14)25)28-19(23-24)13-6-7-15-16(9-13)27-10-26-15/h2-9,21H,10H2,1H3/b14-8-,21-17?
InChIKey ANNILFHIGZPQDH-ZSCJGDHMSA-N
Mol Weight 390.42 g/mol
Molecular Formula C20H14N4O3S
Exact Mass 390.078661 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CylWjftqBoC
Name (6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(4-methylbenzylidene)-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/C20H14N4O3S/c1-11-2-4-12(5-3-11)8-14-17(21)24-20(22-18(14)25)28-19(23-24)13-6-7-15-16(9-13)27-10-26-15/h2-9,21H,10H2,1H3/b14-8-,21-17?
InChIKey ANNILFHIGZPQDH-ZSCJGDHMSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25827
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: D61646; Labnumber: CEP4-3509; SBI_ID: SBI-025831
Synonyms 2-(1,3-benzodioxol-5-yl)-5-imino-6-(4-methylbenzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C