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7-benzyl-2-(3-bromophenyl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
SpectraBase Compound ID CL4WrYgLjZQ
InChI InChI=1S/C22H20BrN3OS/c23-16-8-4-7-15(11-16)20-24-21(27)19-17-9-10-26(12-14-5-2-1-3-6-14)13-18(17)28-22(19)25-20/h1-8,11,20,25H,9-10,12-13H2,(H,24,27)
InChIKey HGOIQONIZSTFQQ-UHFFFAOYSA-N
Mol Weight 454.39 g/mol
Molecular Formula C22H20BrN3OS
Exact Mass 453.051046 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DAGLp4PmVgB
Name 7-benzyl-2-(3-bromophenyl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-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/C22H20BrN3OS/c23-16-8-4-7-15(11-16)20-24-21(27)19-17-9-10-26(12-14-5-2-1-3-6-14)13-18(17)28-22(19)25-20/h1-8,11,20,25H,9-10,12-13H2,(H,24,27)
InChIKey HGOIQONIZSTFQQ-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI_21270_6279
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: 62780; UBI_ID: UBI-006281
Temperature 318 °C