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(6Z)-6-{3-bromo-4-[(2-chlorobenzyl)oxy]-5-methoxybenzylidene}-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 75xOIYhV0s6
InChI InChI=1S/C23H20BrClN4O3S/c1-12(2)22-28-29-20(26)15(21(30)27-23(29)33-22)8-13-9-16(24)19(18(10-13)31-3)32-11-14-6-4-5-7-17(14)25/h4-10,12,26H,11H2,1-3H3/b15-8-,26-20?
InChIKey RMTRRBRHGDKDKU-FLANLAGZSA-N
Mol Weight 547.86 g/mol
Molecular Formula C23H20BrClN4O3S
Exact Mass 546.012802 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Azih3LXDh3S
Name (6Z)-6-{3-bromo-4-[(2-chlorobenzyl)oxy]-5-methoxybenzylidene}-5-imino-2-isopropyl-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/C23H20BrClN4O3S/c1-12(2)22-28-29-20(26)15(21(30)27-23(29)33-22)8-13-9-16(24)19(18(10-13)31-3)32-11-14-6-4-5-7-17(14)25/h4-10,12,26H,11H2,1-3H3/b15-8-,26-20?
InChIKey RMTRRBRHGDKDKU-FLANLAGZSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1043
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: /VSVE61629; UBI_ID: UBI-001044
Synonyms 6-{3-bromo-4-[(2-chlorobenzyl)oxy]-5-methoxybenzylidene}-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C