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

*Links on SpectraBase are not permalinks.
(6Z)-6-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-5-imino-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 1cmovfwNTgr
InChI InChI=1S/C23H17ClN6OS/c1-13-8-10-15(11-9-13)22-28-30-20(25)18(21(31)26-23(30)32-22)12-17-14(2)27-29(19(17)24)16-6-4-3-5-7-16/h3-12,25H,1-2H3/b18-12-,25-20?
InChIKey GFFTWRFMWQXADQ-QDLOHUEYSA-N
Mol Weight 460.94 g/mol
Molecular Formula C23H17ClN6OS
Exact Mass 460.087308 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 1lkh82bku0S
Name (6Z)-6-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-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/C23H17ClN6OS/c1-13-8-10-15(11-9-13)22-28-30-20(25)18(21(31)26-23(30)32-22)12-17-14(2)27-29(19(17)24)16-6-4-3-5-7-16/h3-12,25H,1-2H3/b18-12-,25-20?
InChIKey GFFTWRFMWQXADQ-QDLOHUEYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6231
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: 62701; UBI_ID: UBI-006233
Synonyms 6-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-5-imino-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 308 °C