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3-{[(E)-(4-fluorophenyl)methylidene]amino}-2-isobutyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID Ga3NOJAPC9b
InChI InChI=1S/C21H22FN3OS/c1-13(2)11-18-24-20-19(16-5-3-4-6-17(16)27-20)21(26)25(18)23-12-14-7-9-15(22)10-8-14/h7-10,12-13H,3-6,11H2,1-2H3/b23-12+
InChIKey LJDXFZOGHZBJOV-FSJBWODESA-N
Mol Weight 383.49 g/mol
Molecular Formula C21H22FN3OS
Exact Mass 383.146762 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JgezSxeyaZU
Name 3-{[(E)-(4-fluorophenyl)methylidene]amino}-2-isobutyl-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/C21H22FN3OS/c1-13(2)11-18-24-20-19(16-5-3-4-6-17(16)27-20)21(26)25(18)23-12-14-7-9-15(22)10-8-14/h7-10,12-13H,3-6,11H2,1-2H3/b23-12+
InChIKey LJDXFZOGHZBJOV-FSJBWODESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_1933
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: 800572AE992-054; Labnumber: 800572AE992-054; VK_ID: VK-001934
Synonyms 3-{[(4-fluorophenyl)methylidene]amino}-2-isobutyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Temperature 318 °C