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2-(3,5-dibromo-4-methoxyphenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
SpectraBase Compound ID 1yetBvbMXe6
InChI InChI=1S/C17H17Br2N3O2S/c1-22-4-3-9-12(7-22)25-17-13(9)16(23)20-15(21-17)8-5-10(18)14(24-2)11(19)6-8/h5-6,15,21H,3-4,7H2,1-2H3,(H,20,23)
InChIKey PLOYHUSTYYBLJO-UHFFFAOYSA-N
Mol Weight 487.21 g/mol
Molecular Formula C17H17Br2N3O2S
Exact Mass 484.940824 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DRcAWzZnrxY
Name 2-(3,5-dibromo-4-methoxyphenyl)-7-methyl-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/C17H17Br2N3O2S/c1-22-4-3-9-12(7-22)25-17-13(9)16(23)20-15(21-17)8-5-10(18)14(24-2)11(19)6-8/h5-6,15,21H,3-4,7H2,1-2H3,(H,20,23)
InChIKey PLOYHUSTYYBLJO-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI_21270_3980
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: UZI/8108846; UBI_ID: UBI-003981
Temperature 318 °C