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(6E)-2-(2-chlorophenyl)-5-imino-6-{[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 3DG3kMLIn7D
InChI InChI=1S/C25H20ClN5O2S/c1-14-12-16(15(2)30(14)20-10-6-7-11-21(20)33-3)13-18-22(27)31-25(28-23(18)32)34-24(29-31)17-8-4-5-9-19(17)26/h4-13,27H,1-3H3/b18-13+,27-22?
InChIKey QPBCMDCWIMOKPW-UWLIRHCWSA-N
Mol Weight 489.98 g/mol
Molecular Formula C25H20ClN5O2S
Exact Mass 489.102624 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IdfcixC3tY6
Name (6E)-2-(2-chlorophenyl)-5-imino-6-{[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-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/C25H20ClN5O2S/c1-14-12-16(15(2)30(14)20-10-6-7-11-21(20)33-3)13-18-22(27)31-25(28-23(18)32)34-24(29-31)17-8-4-5-9-19(17)26/h4-13,27H,1-3H3/b18-13+,27-22?
InChIKey QPBCMDCWIMOKPW-UWLIRHCWSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4186
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: E01098; Labnumber: CEP4-1847; SBI_ID: SBI-004188
Synonyms 2-(2-chlorophenyl)-5-imino-6-{[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C