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3-benzyl-2-[(4-chlorobenzyl)sulfanyl]-7-isopropyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID DiOctmD9fTf
InChI InChI=1S/C26H26ClN3OS2/c1-17(2)29-13-12-21-22(15-29)33-24-23(21)25(31)30(14-18-6-4-3-5-7-18)26(28-24)32-16-19-8-10-20(27)11-9-19/h3-11,17H,12-16H2,1-2H3
InChIKey SKKUTPXAKDCWRG-UHFFFAOYSA-N
Mol Weight 496.09 g/mol
Molecular Formula C26H26ClN3OS2
Exact Mass 495.120583 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 66qkKAiuwIp
Name 3-benzyl-2-[(4-chlorobenzyl)sulfanyl]-7-isopropyl-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/C26H26ClN3OS2/c1-17(2)29-13-12-21-22(15-29)33-24-23(21)25(31)30(14-18-6-4-3-5-7-18)26(28-24)32-16-19-8-10-20(27)11-9-19/h3-11,17H,12-16H2,1-2H3
InChIKey SKKUTPXAKDCWRG-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12172
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 801265; Labnumber: AE95-809; VK_ID: VK-012177
Temperature 308 °C