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2-{3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID 6BxUoLlEPJe
InChI InChI=1S/C26H25ClN2O5S/c1-31-18-8-4-5-9-19(18)33-11-12-34-23-17(27)13-15(14-20(23)32-2)24-28-25(30)22-16-7-3-6-10-21(16)35-26(22)29-24/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3,(H,28,29,30)
InChIKey MLEJZYGORRWQRA-UHFFFAOYSA-N
Mol Weight 513.01 g/mol
Molecular Formula C26H25ClN2O5S
Exact Mass 512.117271 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 339m51NyxEl
Name 2-{3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)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/C26H25ClN2O5S/c1-31-18-8-4-5-9-19(18)33-11-12-34-23-17(27)13-15(14-20(23)32-2)24-28-25(30)22-16-7-3-6-10-21(16)35-26(22)29-24/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3,(H,28,29,30)
InChIKey MLEJZYGORRWQRA-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7144
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: 127210; Labnumber: CEP-22937; VK_ID: VK-007148
Temperature 308 °C