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3-[4-bromo-1-(4-chlorobenzyl)-1H-pyrazol-3-yl]-5-ethyl-6-methyl-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID L65kJy4OsEz
InChI InChI=1S/C19H16BrClN4OS2/c1-3-13-10(2)28-17-15(13)18(26)25(19(27)22-17)16-14(20)9-24(23-16)8-11-4-6-12(21)7-5-11/h4-7,9H,3,8H2,1-2H3,(H,22,27)
InChIKey LBWJBNKUMLEXCP-UHFFFAOYSA-N
Mol Weight 495.84 g/mol
Molecular Formula C19H16BrClN4OS2
Exact Mass 493.963744 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EYeXuT8NB9Z
Name 3-[4-bromo-1-(4-chlorobenzyl)-1H-pyrazol-3-yl]-5-ethyl-6-methyl-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-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/C19H16BrClN4OS2/c1-3-13-10(2)28-17-15(13)18(26)25(19(27)22-17)16-14(20)9-24(23-16)8-11-4-6-12(21)7-5-11/h4-7,9H,3,8H2,1-2H3,(H,22,27)
InChIKey LBWJBNKUMLEXCP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8146
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: UZI/1269294; Labnumber: COL6878; UZI_ID: UZI-008148
Temperature 318 °C