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(6Z)-5-imino-6-{3-methoxy-4-[3-(3-methoxyphenoxy)propoxy]benzylidene}-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID H6VqeHbqPNo
InChI InChI=1S/C28H25N5O5S/c1-35-20-7-3-8-21(16-20)37-12-5-13-38-23-10-9-18(15-24(23)36-2)14-22-25(29)33-28(31-26(22)34)39-27(32-33)19-6-4-11-30-17-19/h3-4,6-11,14-17,29H,5,12-13H2,1-2H3/b22-14-,29-25?
InChIKey OVVPYOMYTJVOKR-YKPJJRJESA-N
Mol Weight 543.6 g/mol
Molecular Formula C28H25N5O5S
Exact Mass 543.15764 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KDI2hELO59N
Name (6Z)-5-imino-6-{3-methoxy-4-[3-(3-methoxyphenoxy)propoxy]benzylidene}-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/C28H25N5O5S/c1-35-20-7-3-8-21(16-20)37-12-5-13-38-23-10-9-18(15-24(23)36-2)14-22-25(29)33-28(31-26(22)34)39-27(32-33)19-6-4-11-30-17-19/h3-4,6-11,14-17,29H,5,12-13H2,1-2H3/b22-14-,29-25?
InChIKey OVVPYOMYTJVOKR-YKPJJRJESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24509
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: D46804; Labnumber: CEP5-1058; SBI_ID: SBI-024513
Synonyms 5-imino-6-{3-methoxy-4-[3-(3-methoxyphenoxy)propoxy]benzylidene}-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C