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(6Z)-6-[3-ethoxy-4-(1-phenylethoxy)benzylidene]-5-imino-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID HT0UNmA5Efq
InChI InChI=1S/C27H23N5O3S/c1-3-34-23-15-18(11-12-22(23)35-17(2)19-8-5-4-6-9-19)14-21-24(28)32-27(30-25(21)33)36-26(31-32)20-10-7-13-29-16-20/h4-17,28H,3H2,1-2H3/b21-14-,28-24?
InChIKey KLUMZDIXYPBDAQ-WTPQPOPRSA-N
Mol Weight 497.57 g/mol
Molecular Formula C27H23N5O3S
Exact Mass 497.152161 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GJAbUiU7uAc
Name (6Z)-6-[3-ethoxy-4-(1-phenylethoxy)benzylidene]-5-imino-2-(3-pyridinyl)-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/C27H23N5O3S/c1-3-34-23-15-18(11-12-22(23)35-17(2)19-8-5-4-6-9-19)14-21-24(28)32-27(30-25(21)33)36-26(31-32)20-10-7-13-29-16-20/h4-17,28H,3H2,1-2H3/b21-14-,28-24?
InChIKey KLUMZDIXYPBDAQ-WTPQPOPRSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21590
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: D55110; Labnumber: CEP5-0440; SBI_ID: SBI-021594
Synonyms 6-[3-ethoxy-4-(1-phenylethoxy)benzylidene]-5-imino-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 315 °C