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(6E)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene]-2-(2-furyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID GdbqE437GU3
InChI InChI=1S/C23H19N5O2S/c1-14-11-17(15(2)27(14)13-16-7-4-3-5-8-16)12-18-20(24)28-23(25-21(18)29)31-22(26-28)19-9-6-10-30-19/h3-12,24H,13H2,1-2H3/b18-12+,24-20?
InChIKey MZZYHZSXZOWOGU-ODJOWLHGSA-N
Mol Weight 429.5 g/mol
Molecular Formula C23H19N5O2S
Exact Mass 429.125946 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3zrYAKL27qc
Name (6E)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene]-2-(2-furyl)-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/C23H19N5O2S/c1-14-11-17(15(2)27(14)13-16-7-4-3-5-8-16)12-18-20(24)28-23(25-21(18)29)31-22(26-28)19-9-6-10-30-19/h3-12,24H,13H2,1-2H3/b18-12+,24-20?
InChIKey MZZYHZSXZOWOGU-ODJOWLHGSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4148
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: E01051; Labnumber: CEP4-1000; SBI_ID: SBI-004150
Synonyms 6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene]-2-(2-furyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C