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2-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID FIGwJjQ57lR
InChI InChI=1S/C21H19BrN4O2S/c1-28-16-7-6-12(8-13(16)10-26-11-14(22)9-23-26)19-24-20(27)18-15-4-2-3-5-17(15)29-21(18)25-19/h6-9,11H,2-5,10H2,1H3,(H,24,25,27)
InChIKey AWIIIVCBIRHBAB-UHFFFAOYSA-N
Mol Weight 471.37 g/mol
Molecular Formula C21H19BrN4O2S
Exact Mass 470.04121 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID hVDSvwYHZ3
Name 2-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[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/C21H19BrN4O2S/c1-28-16-7-6-12(8-13(16)10-26-11-14(22)9-23-26)19-24-20(27)18-15-4-2-3-5-17(15)29-21(18)25-19/h6-9,11H,2-5,10H2,1H3,(H,24,25,27)
InChIKey AWIIIVCBIRHBAB-UHFFFAOYSA-N
NMR Offset 17.9126
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_31185
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: 1739365; SBI_ID: SBI-031189
Temperature 303 °C