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(6Z)-6-{4-[(2,4-dichlorobenzyl)oxy]benzylidene}-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID GsYFikpfqHP
InChI InChI=1S/C26H26Cl2N4O2S/c1-2-3-4-5-6-7-23-31-32-24(29)21(25(33)30-26(32)35-23)14-17-8-12-20(13-9-17)34-16-18-10-11-19(27)15-22(18)28/h8-15,29H,2-7,16H2,1H3/b21-14-,29-24?
InChIKey BZWNNBZVFHZBSA-VLXLKOCRSA-N
Mol Weight 529.49 g/mol
Molecular Formula C26H26Cl2N4O2S
Exact Mass 528.115353 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3FNFgOv993
Name (6Z)-6-{4-[(2,4-dichlorobenzyl)oxy]benzylidene}-2-heptyl-5-imino-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/C26H26Cl2N4O2S/c1-2-3-4-5-6-7-23-31-32-24(29)21(25(33)30-26(32)35-23)14-17-8-12-20(13-9-17)34-16-18-10-11-19(27)15-22(18)28/h8-15,29H,2-7,16H2,1H3/b21-14-,29-24?
InChIKey BZWNNBZVFHZBSA-VLXLKOCRSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7449
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: 127239; Labnumber: CEP2K-01803; VK_ID: VK-007453
Synonyms 6-{4-[(2,4-dichlorobenzyl)oxy]benzylidene}-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 315 °C