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7-benzyl-2-(5-bromo-2-methoxyphenyl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
SpectraBase Compound ID JgfaYOhbGNg
InChI InChI=1S/C23H22BrN3O2S/c1-29-18-8-7-15(24)11-17(18)21-25-22(28)20-16-9-10-27(12-14-5-3-2-4-6-14)13-19(16)30-23(20)26-21/h2-8,11,21,26H,9-10,12-13H2,1H3,(H,25,28)
InChIKey QFCDEXXJIIOIJK-UHFFFAOYSA-N
Mol Weight 484.41 g/mol
Molecular Formula C23H22BrN3O2S
Exact Mass 483.061611 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6QMesiDjU4N
Name 7-benzyl-2-(5-bromo-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/C23H22BrN3O2S/c1-29-18-8-7-15(24)11-17(18)21-25-22(28)20-16-9-10-27(12-14-5-3-2-4-6-14)13-19(16)30-23(20)26-21/h2-8,11,21,26H,9-10,12-13H2,1H3,(H,25,28)
InChIKey QFCDEXXJIIOIJK-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI_21270_6291
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: 62799; UBI_ID: UBI-006293
Temperature 318 °C