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(6Z)-6-{4-[3-(2,6-dimethylphenoxy)propoxy]benzylidene}-5-imino-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID IQPRitxI6HW
InChI InChI=1S/C28H25N5O3S/c1-18-6-3-7-19(2)24(18)36-15-5-14-35-22-11-9-20(10-12-22)16-23-25(29)33-28(31-26(23)34)37-27(32-33)21-8-4-13-30-17-21/h3-4,6-13,16-17,29H,5,14-15H2,1-2H3/b23-16-,29-25?
InChIKey YWKBJPCXAFEHBJ-BNLMHUEYSA-N
Mol Weight 511.6 g/mol
Molecular Formula C28H25N5O3S
Exact Mass 511.167811 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KPVBP9SNtg4
Name (6Z)-6-{4-[3-(2,6-dimethylphenoxy)propoxy]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/C28H25N5O3S/c1-18-6-3-7-19(2)24(18)36-15-5-14-35-22-11-9-20(10-12-22)16-23-25(29)33-28(31-26(23)34)37-27(32-33)21-8-4-13-30-17-21/h3-4,6-13,16-17,29H,5,14-15H2,1-2H3/b23-16-,29-25?
InChIKey YWKBJPCXAFEHBJ-BNLMHUEYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21596
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: D55119; Labnumber: CEP5-0583; SBI_ID: SBI-021600
Synonyms 6-{4-[3-(2,6-dimethylphenoxy)propoxy]benzylidene}-5-imino-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 315 °C