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(6E)-6-{[1-(4-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID KViuRfrQp56
InChI InChI=1S/C20H18ClN5OS/c1-10-7-15(21)5-6-17(10)25-11(2)8-14(12(25)3)9-16-18(22)26-20(23-19(16)27)28-13(4)24-26/h5-9,22H,1-4H3/b16-9+,22-18?
InChIKey MUCDTBNAZCHZHZ-JNADWCBDSA-N
Mol Weight 411.91 g/mol
Molecular Formula C20H18ClN5OS
Exact Mass 411.092059 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5QbDTqimWmk
Name (6E)-6-{[1-(4-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-methyl-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/C20H18ClN5OS/c1-10-7-15(21)5-6-17(10)25-11(2)8-14(12(25)3)9-16-18(22)26-20(23-19(16)27)28-13(4)24-26/h5-9,22H,1-4H3/b16-9+,22-18?
InChIKey MUCDTBNAZCHZHZ-JNADWCBDSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4143
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: E01045; Labnumber: CEP4-0851; SBI_ID: SBI-004145
Synonyms 6-{[1-(4-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C