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2-[(7-tert-butyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide

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2-[(7-tert-butyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
SpectraBase Compound ID De6HPtFgNac
InChI InChI=1S/C28H28FN3O2S2/c1-28(2,3)17-9-14-21-22(15-17)36-25-24(21)26(34)32(20-7-5-4-6-8-20)27(31-25)35-16-23(33)30-19-12-10-18(29)11-13-19/h4-8,10-13,17H,9,14-16H2,1-3H3,(H,30,33)
InChIKey HCQKYUPGONIQIK-UHFFFAOYSA-N
Mol Weight 521.67 g/mol
Molecular Formula C28H28FN3O2S2
Exact Mass 521.160698 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jwezq03a887
Name 2-[(7-tert-butyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
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/C28H28FN3O2S2/c1-28(2,3)17-9-14-21-22(15-17)36-25-24(21)26(34)32(20-7-5-4-6-8-20)27(31-25)35-16-23(33)30-19-12-10-18(29)11-13-19/h4-8,10-13,17H,9,14-16H2,1-3H3,(H,30,33)
InChIKey HCQKYUPGONIQIK-UHFFFAOYSA-N
NMR Offset 16.1752
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_ASIOH_7529_23
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: NMR/8241533; Labnumber: LP-2180489
Temperature 313 °C