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7-benzyl-2-(3,5-dibromo-2-methoxyphenyl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
SpectraBase Compound ID KTsko2jxbpq
InChI InChI=1S/C23H21Br2N3O2S/c1-30-20-16(9-14(24)10-17(20)25)21-26-22(29)19-15-7-8-28(11-13-5-3-2-4-6-13)12-18(15)31-23(19)27-21/h2-6,9-10,21,27H,7-8,11-12H2,1H3,(H,26,29)
InChIKey JETMQCJIPKCXMF-UHFFFAOYSA-N
Mol Weight 563.31 g/mol
Molecular Formula C23H21Br2N3O2S
Exact Mass 560.972124 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8lTFCTP1sGe
Name 7-benzyl-2-(3,5-dibromo-2-methoxyphenyl)-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/C23H21Br2N3O2S/c1-30-20-16(9-14(24)10-17(20)25)21-26-22(29)19-15-7-8-28(11-13-5-3-2-4-6-13)12-18(15)31-23(19)27-21/h2-6,9-10,21,27H,7-8,11-12H2,1H3,(H,26,29)
InChIKey JETMQCJIPKCXMF-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI_21270_6310
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: 62821; UBI_ID: UBI-006312
Temperature 318 °C