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3-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-6-methyl-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID 2IzDmgEcVL0
InChI InChI=1S/C19H17FN4OS2/c1-10-8-15-17(27-10)21-19(26)24(18(15)25)16-11(2)22-23(12(16)3)9-13-4-6-14(20)7-5-13/h4-8H,9H2,1-3H3,(H,21,26)
InChIKey VXTKSHIEDRRNRN-UHFFFAOYSA-N
Mol Weight 400.49 g/mol
Molecular Formula C19H17FN4OS2
Exact Mass 400.082782 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HNbagauAFOG
Name 3-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-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/C19H17FN4OS2/c1-10-8-15-17(27-10)21-19(26)24(18(15)25)16-11(2)22-23(12(16)3)9-13-4-6-14(20)7-5-13/h4-8H,9H2,1-3H3,(H,21,26)
InChIKey VXTKSHIEDRRNRN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8209
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/1269867; Labnumber: COL7129; UZI_ID: UZI-008211
Temperature 318 °C