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(6E)-6-{[2,5-dimethyl-1-(1-naphthyl)-1H-pyrrol-3-yl]methylene}-5-imino-2-phenyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID L1u59eAeQ2Y
InChI InChI=1S/C28H21N5OS/c1-17-15-21(18(2)32(17)24-14-8-12-19-9-6-7-13-22(19)24)16-23-25(29)33-28(30-26(23)34)35-27(31-33)20-10-4-3-5-11-20/h3-16,29H,1-2H3/b23-16+,29-25?
InChIKey OGFFLAXRDFHZTR-FMQLZUAWSA-N
Mol Weight 475.57 g/mol
Molecular Formula C28H21N5OS
Exact Mass 475.146681 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DULn189C1JB
Name (6E)-6-{[2,5-dimethyl-1-(1-naphthyl)-1H-pyrrol-3-yl]methylene}-5-imino-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/C28H21N5OS/c1-17-15-21(18(2)32(17)24-14-8-12-19-9-6-7-13-22(19)24)16-23-25(29)33-28(30-26(23)34)35-27(31-33)20-10-4-3-5-11-20/h3-16,29H,1-2H3/b23-16+,29-25?
InChIKey OGFFLAXRDFHZTR-FMQLZUAWSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4178
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: E01086; Labnumber: CEP4-1622; SBI_ID: SBI-004180
Synonyms 6-{[2,5-dimethyl-1-(1-naphthyl)-1H-pyrrol-3-yl]methylene}-5-imino-2-phenyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C