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3-[1-(4-chlorobenzyl)-1H-pyrazol-3-yl]-5-ethyl-6-methyl-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID LQwwPP6LT0Q
InChI InChI=1S/C19H17ClN4OS2/c1-3-14-11(2)27-17-16(14)18(25)24(19(26)21-17)15-8-9-23(22-15)10-12-4-6-13(20)7-5-12/h4-9H,3,10H2,1-2H3,(H,21,26)
InChIKey BNMCUWFPRSTLLF-UHFFFAOYSA-N
Mol Weight 416.95 g/mol
Molecular Formula C19H17ClN4OS2
Exact Mass 416.053231 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5JnBle5fred
Name 3-[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/C19H17ClN4OS2/c1-3-14-11(2)27-17-16(14)18(25)24(19(26)21-17)15-8-9-23(22-15)10-12-4-6-13(20)7-5-12/h4-9H,3,10H2,1-2H3,(H,21,26)
InChIKey BNMCUWFPRSTLLF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8160
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/1269157; Labnumber: COL6951; UZI_ID: UZI-008162
Temperature 318 °C