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7-benzyl-2-[(4-chlorobenzyl)sulfanyl]-3-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one

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7-benzyl-2-[(4-chlorobenzyl)sulfanyl]-3-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID K9ThuWAjbjM
InChI InChI=1S/C30H26ClN3O2S2/c1-36-24-13-11-23(12-14-24)34-29(35)27-25-15-16-33(17-20-5-3-2-4-6-20)18-26(25)38-28(27)32-30(34)37-19-21-7-9-22(31)10-8-21/h2-14H,15-19H2,1H3
InChIKey YAAREAGBUWOFLB-UHFFFAOYSA-N
Mol Weight 560.13 g/mol
Molecular Formula C30H26ClN3O2S2
Exact Mass 559.115497 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4SBVvZAH2tc
Name 7-benzyl-2-[(4-chlorobenzyl)sulfanyl]-3-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-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/C30H26ClN3O2S2/c1-36-24-13-11-23(12-14-24)34-29(35)27-25-15-16-33(17-20-5-3-2-4-6-20)18-26(25)38-28(27)32-30(34)37-19-21-7-9-22(31)10-8-21/h2-14H,15-19H2,1H3
InChIKey YAAREAGBUWOFLB-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12152
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: 801240; Labnumber: AE95-783; VK_ID: VK-012157
Temperature 318 °C