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thieno[3,2-d]pyrimidin-4(3H)-one, 3-(4-bromophenyl)-2-[[2-(hexahydro-1H-azepin-1-yl)-2-oxoethyl]thio]-6,7-dihydro-
SpectraBase Compound ID 3c8bLaOdWQe
InChI InChI=1S/C20H22BrN3O2S2/c21-14-5-7-15(8-6-14)24-19(26)18-16(9-12-27-18)22-20(24)28-13-17(25)23-10-3-1-2-4-11-23/h5-8H,1-4,9-13H2
InChIKey COKJRKZENXFAQU-UHFFFAOYSA-N
Mol Weight 480.44 g/mol
Molecular Formula C20H22BrN3O2S2
Exact Mass 479.033682 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2lAJFTcZM11
Name thieno[3,2-d]pyrimidin-4(3H)-one, 3-(4-bromophenyl)-2-[[2-(hexahydro-1H-azepin-1-yl)-2-oxoethyl]thio]-6,7-dihydro-
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/C20H22BrN3O2S2/c21-14-5-7-15(8-6-14)24-19(26)18-16(9-12-27-18)22-20(24)28-13-17(25)23-10-3-1-2-4-11-23/h5-8H,1-4,9-13H2
InChIKey COKJRKZENXFAQU-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5425
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/10257069; Labnumber: F0513-0113