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2-(butylsulfanyl)-3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID I3cWa845Wdc
InChI InChI=1S/C21H24N2OS2/c1-3-4-13-25-21-22-19-18(16-7-5-6-8-17(16)26-19)20(24)23(21)15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3
InChIKey ODMKWHVJVXBVCH-UHFFFAOYSA-N
Mol Weight 384.56 g/mol
Molecular Formula C21H24N2OS2
Exact Mass 384.133006 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1PvBCFv8of3
Name 2-(butylsulfanyl)-3-(4-methylphenyl)-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/C21H24N2OS2/c1-3-4-13-25-21-22-19-18(16-7-5-6-8-17(16)26-19)20(24)23(21)15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3
InChIKey ODMKWHVJVXBVCH-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12224
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: 803522; Labnumber: BAD8-0148; VK_ID: VK-012229
Temperature 313 °C