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(6E)-6-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-(1-ethylpropyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID AUOPNWxotZz
InChI InChI=1S/C23H24ClN5OS/c1-5-15(6-2)22-27-29-20(25)19(21(30)26-23(29)31-22)11-16-10-13(3)28(14(16)4)18-9-7-8-17(24)12-18/h7-12,15,25H,5-6H2,1-4H3/b19-11+,25-20?
InChIKey ZQVCHVFMBAJJJL-JNMYDYDMSA-N
Mol Weight 453.99 g/mol
Molecular Formula C23H24ClN5OS
Exact Mass 453.139009 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hd96wfIxkIg
Name (6E)-6-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-(1-ethylpropyl)-5-imino-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/C23H24ClN5OS/c1-5-15(6-2)22-27-29-20(25)19(21(30)26-23(29)31-22)11-16-10-13(3)28(14(16)4)18-9-7-8-17(24)12-18/h7-12,15,25H,5-6H2,1-4H3/b19-11+,25-20?
InChIKey ZQVCHVFMBAJJJL-JNMYDYDMSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25875
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: D61698; Labnumber: CEP4-3906; SBI_ID: SBI-025879
Synonyms 6-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-(1-ethylpropyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C