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

*Links on SpectraBase are not permalinks.
(6E)-6-{[1-(2,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-phenyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID IkMBpKoRxnP
InChI InChI=1S/C24H17Cl2N5OS/c1-13-10-16(14(2)30(13)20-9-8-17(25)12-19(20)26)11-18-21(27)31-24(28-22(18)32)33-23(29-31)15-6-4-3-5-7-15/h3-12,27H,1-2H3/b18-11+,27-21?
InChIKey JWKMQLJXXKQYJT-DZCSLESKSA-N
Mol Weight 494.4 g/mol
Molecular Formula C24H17Cl2N5OS
Exact Mass 493.053087 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 IO2M4zRD4oo
Name (6E)-6-{[1-(2,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-phenyl-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/C24H17Cl2N5OS/c1-13-10-16(14(2)30(13)20-9-8-17(25)12-19(20)26)11-18-21(27)31-24(28-22(18)32)33-23(29-31)15-6-4-3-5-7-15/h3-12,27H,1-2H3/b18-11+,27-21?
InChIKey JWKMQLJXXKQYJT-DZCSLESKSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4189
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: E01102; Labnumber: CEP4-1901; SBI_ID: SBI-004191
Synonyms 6-{[1-(2,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-phenyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C