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(6E)-6-(3,4-dihydroxybenzylidene)-2-(1-ethylpropyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID FmEo7knkUi9
InChI InChI=1S/C17H18N4O3S/c1-3-10(4-2)16-20-21-14(18)11(15(24)19-17(21)25-16)7-9-5-6-12(22)13(23)8-9/h5-8,10,18,22-23H,3-4H2,1-2H3/b11-7+,18-14?
InChIKey DDLQOBLTIMOIAO-OOJRFANJSA-N
Mol Weight 358.42 g/mol
Molecular Formula C17H18N4O3S
Exact Mass 358.109962 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L5On5hAEwL8
Name (6E)-6-(3,4-dihydroxybenzylidene)-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/C17H18N4O3S/c1-3-10(4-2)16-20-21-14(18)11(15(24)19-17(21)25-16)7-9-5-6-12(22)13(23)8-9/h5-8,10,18,22-23H,3-4H2,1-2H3/b11-7+,18-14?
InChIKey DDLQOBLTIMOIAO-OOJRFANJSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28154
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: D80988; Labnumber: CEP4-3778; SBI_ID: SBI-028158
Synonyms 6-(3,4-dihydroxybenzylidene)-2-(1-ethylpropyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C