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2-(allylsulfanyl)-3-benzyl-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID BxtLePy1DDe
InChI InChI=1S/C21H22N2OS2/c1-3-11-25-21-22-19-18(16-10-9-14(2)12-17(16)26-19)20(24)23(21)13-15-7-5-4-6-8-15/h3-8,14H,1,9-13H2,2H3
InChIKey QHXMNIYIFYHAIM-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 CVVLA7FBaHj
Name 2-(allylsulfanyl)-3-benzyl-7-methyl-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/c1-3-11-25-21-22-19-18(16-10-9-14(2)12-17(16)26-19)20(24)23(21)13-15-7-5-4-6-8-15/h3-8,14H,1,9-13H2,2H3
InChIKey QHXMNIYIFYHAIM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14054
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: MAY-13/0138; UBI_ID: UBI-014057
Temperature 318 °C