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(6E)-2-(1-ethylpropyl)-5-imino-6-(3,4,5-trimethoxybenzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID hF7uQy28kt
InChI InChI=1S/C20H24N4O4S/c1-6-12(7-2)19-23-24-17(21)13(18(25)22-20(24)29-19)8-11-9-14(26-3)16(28-5)15(10-11)27-4/h8-10,12,21H,6-7H2,1-5H3/b13-8+,21-17?
InChIKey MLYIOYSIVIZIGE-UJTIYTRRSA-N
Mol Weight 416.5 g/mol
Molecular Formula C20H24N4O4S
Exact Mass 416.151826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IOEEvakB6p6
Name (6E)-2-(1-ethylpropyl)-5-imino-6-(3,4,5-trimethoxybenzylidene)-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/C20H24N4O4S/c1-6-12(7-2)19-23-24-17(21)13(18(25)22-20(24)29-19)8-11-9-14(26-3)16(28-5)15(10-11)27-4/h8-10,12,21H,6-7H2,1-5H3/b13-8+,21-17?
InChIKey MLYIOYSIVIZIGE-UJTIYTRRSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25857
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: D61677; Labnumber: CEP4-3681; SBI_ID: SBI-025861
Synonyms 2-(1-ethylpropyl)-5-imino-6-(3,4,5-trimethoxybenzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C