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2-{3-allyl-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID owlS423yOF
InChI InChI=1S/C29H30N2O4S/c1-4-7-19-16-20(27-30-28(32)25-22-8-5-6-9-24(22)36-29(25)31-27)17-23(33-3)26(19)35-15-14-34-21-12-10-18(2)11-13-21/h4,10-13,16-17H,1,5-9,14-15H2,2-3H3,(H,30,31,32)
InChIKey FZTWJPHGRKGDGA-UHFFFAOYSA-N
Mol Weight 502.63 g/mol
Molecular Formula C29H30N2O4S
Exact Mass 502.192629 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AuKlUEiNhQM
Name 2-{3-allyl-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[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/C29H30N2O4S/c1-4-7-19-16-20(27-30-28(32)25-22-8-5-6-9-24(22)36-29(25)31-27)17-23(33-3)26(19)35-15-14-34-21-12-10-18(2)11-13-21/h4,10-13,16-17H,1,5-9,14-15H2,2-3H3,(H,30,31,32)
InChIKey FZTWJPHGRKGDGA-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17550
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: D29137; Labnumber: CEP-23052; SBI_ID: SBI-017553
Temperature 306 °C