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3-(4-methylphenyl)-2-[(2-methyl-2-propenyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID 8Puj8hMnXwV
InChI InChI=1S/C21H22N2OS2/c1-13(2)12-25-21-22-19-18(16-6-4-5-7-17(16)26-19)20(24)23(21)15-10-8-14(3)9-11-15/h8-11H,1,4-7,12H2,2-3H3
InChIKey YZDCGRLTKATLFS-UHFFFAOYSA-N
Mol Weight 382.54 g/mol
Molecular Formula C21H22N2OS2
Exact Mass 382.117356 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1wDA54h2SLR
Name 3-(4-methylphenyl)-2-[(2-methyl-2-propenyl)sulfanyl]-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/C21H22N2OS2/c1-13(2)12-25-21-22-19-18(16-6-4-5-7-17(16)26-19)20(24)23(21)15-10-8-14(3)9-11-15/h8-11H,1,4-7,12H2,2-3H3
InChIKey YZDCGRLTKATLFS-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17366
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: D25645; Labnumber: GRES-04750; SBI_ID: SBI-017369
Temperature 306 °C