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(6E)-5-imino-6-{[1-(4-isopropylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-phenyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 7gdJ1xOz4IA
InChI InChI=1S/C27H25N5OS/c1-16(2)19-10-12-22(13-11-19)31-17(3)14-21(18(31)4)15-23-24(28)32-27(29-25(23)33)34-26(30-32)20-8-6-5-7-9-20/h5-16,28H,1-4H3/b23-15+,28-24?
InChIKey ZJVNNWMXSSXJDG-IJQXDZDCSA-N
Mol Weight 467.59 g/mol
Molecular Formula C27H25N5OS
Exact Mass 467.177982 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E5Jp8IzoBVz
Name (6E)-5-imino-6-{[1-(4-isopropylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-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/C27H25N5OS/c1-16(2)19-10-12-22(13-11-19)31-17(3)14-21(18(31)4)15-23-24(28)32-27(29-25(23)33)34-26(30-32)20-8-6-5-7-9-20/h5-16,28H,1-4H3/b23-15+,28-24?
InChIKey ZJVNNWMXSSXJDG-IJQXDZDCSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4171
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: E01078; Labnumber: CEP4-1465; SBI_ID: SBI-004173
Synonyms 5-imino-6-{[1-(4-isopropylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-phenyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C