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7-benzyl-2-(6-chloro-1,3-benzodioxol-5-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
SpectraBase Compound ID 9Sj4F6Y66so
InChI InChI=1S/C23H20ClN3O3S/c24-16-9-18-17(29-12-30-18)8-15(16)21-25-22(28)20-14-6-7-27(10-13-4-2-1-3-5-13)11-19(14)31-23(20)26-21/h1-5,8-9,21,26H,6-7,10-12H2,(H,25,28)
InChIKey JBXJHMUDQJATHN-UHFFFAOYSA-N
Mol Weight 453.94 g/mol
Molecular Formula C23H20ClN3O3S
Exact Mass 453.09139 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FmYhyev7XrN
Name 7-benzyl-2-(6-chloro-1,3-benzodioxol-5-yl)-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/C23H20ClN3O3S/c24-16-9-18-17(29-12-30-18)8-15(16)21-25-22(28)20-14-6-7-27(10-13-4-2-1-3-5-13)11-19(14)31-23(20)26-21/h1-5,8-9,21,26H,6-7,10-12H2,(H,25,28)
InChIKey JBXJHMUDQJATHN-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI_21270_6273
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: 62774; UBI_ID: UBI-006275
Temperature 318 °C