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(6Z)-6-{4-[3-(4-ethylphenoxy)propoxy]benzylidene}-5-imino-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 8enFyzgWKTW
InChI InChI=1S/C28H25N5O3S/c1-2-19-6-10-22(11-7-19)35-15-4-16-36-23-12-8-20(9-13-23)17-24-25(29)33-28(31-26(24)34)37-27(32-33)21-5-3-14-30-18-21/h3,5-14,17-18,29H,2,4,15-16H2,1H3/b24-17-,29-25?
InChIKey SPSXVFWMQNUBBZ-MBTLPQJVSA-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 67eTx60YV5t
Name (6Z)-6-{4-[3-(4-ethylphenoxy)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/c1-2-19-6-10-22(11-7-19)35-15-4-16-36-23-12-8-20(9-13-23)17-24-25(29)33-28(31-26(24)34)37-27(32-33)21-5-3-14-30-18-21/h3,5-14,17-18,29H,2,4,15-16H2,1H3/b24-17-,29-25?
InChIKey SPSXVFWMQNUBBZ-MBTLPQJVSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21597
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: D55120; Labnumber: CEP5-0585; SBI_ID: SBI-021601
Synonyms 6-{4-[3-(4-ethylphenoxy)propoxy]benzylidene}-5-imino-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 315 °C