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(6Z)-6-(1,3-benzodioxol-5-ylmethylene)-5-imino-2-(phenoxymethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 9vB8WyuCoTH
InChI InChI=1S/C20H14N4O4S/c21-18-14(8-12-6-7-15-16(9-12)28-11-27-15)19(25)22-20-24(18)23-17(29-20)10-26-13-4-2-1-3-5-13/h1-9,21H,10-11H2/b14-8-,21-18?
InChIKey WWOXIOCGVLWFBC-FIZBDXDJSA-N
Mol Weight 406.42 g/mol
Molecular Formula C20H14N4O4S
Exact Mass 406.073576 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JaBTVlAFOIt
Name (6Z)-6-(1,3-benzodioxol-5-ylmethylene)-5-imino-2-(phenoxymethyl)-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/C20H14N4O4S/c21-18-14(8-12-6-7-15-16(9-12)28-11-27-15)19(25)22-20-24(18)23-17(29-20)10-26-13-4-2-1-3-5-13/h1-9,21H,10-11H2/b14-8-,21-18?
InChIKey WWOXIOCGVLWFBC-FIZBDXDJSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6230
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: 62700; UBI_ID: UBI-006232
Synonyms 6-(1,3-benzodioxol-5-ylmethylene)-5-imino-2-(phenoxymethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 308 °C