For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(6Z)-6-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 7XNd7VIH7dn
InChI InChI=1S/C25H20BrN5OS/c1-14-4-6-17(7-5-14)24-29-31-22(27)21(23(32)28-25(31)33-24)13-18-12-15(2)30(16(18)3)20-10-8-19(26)9-11-20/h4-13,27H,1-3H3/b21-13-,27-22?
InChIKey MKYBWYQXBIFCBW-BPOWYZMYSA-N
Mol Weight 518.43 g/mol
Molecular Formula C25H20BrN5OS
Exact Mass 517.057194 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AHMV5UZ9HqU
Name (6Z)-6-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-(4-methylphenyl)-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/C25H20BrN5OS/c1-14-4-6-17(7-5-14)24-29-31-22(27)21(23(32)28-25(31)33-24)13-18-12-15(2)30(16(18)3)20-10-8-19(26)9-11-20/h4-13,27H,1-3H3/b21-13-,27-22?
InChIKey MKYBWYQXBIFCBW-BPOWYZMYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6243
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: 62714; UBI_ID: UBI-006245
Synonyms 6-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 308 °C