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(6Z)-6-(1,3-benzodioxol-5-ylmethylene)-5-imino-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

View entire compound with spectra: 1 NMR

(6Z)-6-(1,3-benzodioxol-5-ylmethylene)-5-imino-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID EVfr4UNFPja
InChI InChI=1S/C20H14N4O3S/c1-11-2-5-13(6-3-11)19-23-24-17(21)14(18(25)22-20(24)28-19)8-12-4-7-15-16(9-12)27-10-26-15/h2-9,21H,10H2,1H3/b14-8-,21-17?
InChIKey JHVKERBOEAGMGX-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 51l0WvzAiJo
Name (6Z)-6-(1,3-benzodioxol-5-ylmethylene)-5-imino-2-(4-methylphenyl)-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/c1-11-2-5-13(6-3-11)19-23-24-17(21)14(18(25)22-20(24)28-19)8-12-4-7-15-16(9-12)27-10-26-15/h2-9,21H,10H2,1H3/b14-8-,21-17?
InChIKey JHVKERBOEAGMGX-ZSCJGDHMSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6232
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: 62702; UBI_ID: UBI-006234
Synonyms 6-(1,3-benzodioxol-5-ylmethylene)-5-imino-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 308 °C