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(6Z)-6-{4-[2-(2-sec-butylphenoxy)ethoxy]benzylidene}-5-imino-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 58DcxMWHsrR
InChI InChI=1S/C29H27N5O3S/c1-3-19(2)23-8-4-5-9-25(23)37-16-15-36-22-12-10-20(11-13-22)17-24-26(30)34-29(32-27(24)35)38-28(33-34)21-7-6-14-31-18-21/h4-14,17-19,30H,3,15-16H2,1-2H3/b24-17-,30-26?
InChIKey XNKZHIRYWULQTL-LGZALBNISA-N
Mol Weight 525.63 g/mol
Molecular Formula C29H27N5O3S
Exact Mass 525.183461 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9uPZyQ5h2Rb
Name (6Z)-6-{4-[2-(2-sec-butylphenoxy)ethoxy]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/C29H27N5O3S/c1-3-19(2)23-8-4-5-9-25(23)37-16-15-36-22-12-10-20(11-13-22)17-24-26(30)34-29(32-27(24)35)38-28(33-34)21-7-6-14-31-18-21/h4-14,17-19,30H,3,15-16H2,1-2H3/b24-17-,30-26?
InChIKey XNKZHIRYWULQTL-LGZALBNISA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21603
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: D55128; Labnumber: CEP5-0756; SBI_ID: SBI-021607
Synonyms 6-{4-[2-(2-sec-butylphenoxy)ethoxy]benzylidene}-5-imino-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 315 °C