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(6Z)-6-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)benzylidene]-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID H8LflZpgQ4v
InChI InChI=1S/C24H23ClN4O4S/c1-3-7-20-28-29-22(26)17(23(30)27-24(29)34-20)12-15-13-18(25)21(19(14-15)31-2)33-11-10-32-16-8-5-4-6-9-16/h4-6,8-9,12-14,26H,3,7,10-11H2,1-2H3/b17-12-,26-22?
InChIKey SXJVCWVTTSDFSG-HACRSSKKSA-N
Mol Weight 498.99 g/mol
Molecular Formula C24H23ClN4O4S
Exact Mass 498.112854 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5MEmvcJCzb8
Name (6Z)-6-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)benzylidene]-5-imino-2-propyl-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/C24H23ClN4O4S/c1-3-7-20-28-29-22(26)17(23(30)27-24(29)34-20)12-15-13-18(25)21(19(14-15)31-2)33-11-10-32-16-8-5-4-6-9-16/h4-6,8-9,12-14,26H,3,7,10-11H2,1-2H3/b17-12-,26-22?
InChIKey SXJVCWVTTSDFSG-HACRSSKKSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3219
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: 115583; Labnumber: CEP2K-01568; VK_ID: VK-003220
Synonyms 6-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)benzylidene]-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C