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benzonitrile, 2-[[2-ethoxy-4-(3,4,5,6,7,8-hexahydro-4-oxobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)phenoxy]methyl]-
SpectraBase Compound ID DYd1AYJPUit
InChI InChI=1S/C26H23N3O3S/c1-2-31-21-13-16(11-12-20(21)32-15-18-8-4-3-7-17(18)14-27)24-28-25(30)23-19-9-5-6-10-22(19)33-26(23)29-24/h3-4,7-8,11-13H,2,5-6,9-10,15H2,1H3,(H,28,29,30)
InChIKey XAPHUGWPWRHMMS-UHFFFAOYSA-N
Mol Weight 457.55 g/mol
Molecular Formula C26H23N3O3S
Exact Mass 457.146013 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A20v1uccWVt
Name benzonitrile, 2-[[2-ethoxy-4-(3,4,5,6,7,8-hexahydro-4-oxobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)phenoxy]methyl]-
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/C26H23N3O3S/c1-2-31-21-13-16(11-12-20(21)32-15-18-8-4-3-7-17(18)14-27)24-28-25(30)23-19-9-5-6-10-22(19)33-26(23)29-24/h3-4,7-8,11-13H,2,5-6,9-10,15H2,1H3,(H,28,29,30)
InChIKey XAPHUGWPWRHMMS-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2461
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: NMR/11269110