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(6E)-6-{[1-(2,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-(methylsulfanyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 2LItKIu55gO
InChI InChI=1S/C19H15Cl2N5OS2/c1-9-6-11(10(2)25(9)15-5-4-12(20)8-14(15)21)7-13-16(22)26-18(23-17(13)27)29-19(24-26)28-3/h4-8,22H,1-3H3/b13-7+,22-16?
InChIKey JSGFMHONLPQXHR-RKQIHDTFSA-N
Mol Weight 464.39 g/mol
Molecular Formula C19H15Cl2N5OS2
Exact Mass 463.009508 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CwYU54OiXrT
Name (6E)-6-{[1-(2,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-(methylsulfanyl)-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/C19H15Cl2N5OS2/c1-9-6-11(10(2)25(9)15-5-4-12(20)8-14(15)21)7-13-16(22)26-18(23-17(13)27)29-19(24-26)28-3/h4-8,22H,1-3H3/b13-7+,22-16?
InChIKey JSGFMHONLPQXHR-RKQIHDTFSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4167
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: E01074; Labnumber: CEP4-1433; SBI_ID: SBI-004169
Synonyms 6-{[1-(2,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-(methylsulfanyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C