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benzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[3-bromo-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]-5,6,7,8-tetrahydro-
SpectraBase Compound ID 533qDMrnsdW
InChI InChI=1S/C27H27BrN2O4S/c1-3-32-21-15-17(14-20(28)24(21)34-13-12-33-18-10-8-16(2)9-11-18)25-29-26(31)23-19-6-4-5-7-22(19)35-27(23)30-25/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,29,30,31)
InChIKey ITLRUPVNLNQQOC-UHFFFAOYSA-N
Mol Weight 555.49 g/mol
Molecular Formula C27H27BrN2O4S
Exact Mass 554.087492 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5I4i419pzvj
Name benzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[3-bromo-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]-5,6,7,8-tetrahydro-
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/C27H27BrN2O4S/c1-3-32-21-15-17(14-20(28)24(21)34-13-12-33-18-10-8-16(2)9-11-18)25-29-26(31)23-19-6-4-5-7-22(19)35-27(23)30-25/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,29,30,31)
InChIKey ITLRUPVNLNQQOC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2467
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/11269116