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2-(3-chloro-5-methoxy-4-{2-[2-(3-methylphenoxy)ethoxy]ethoxy}phenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID CTcUZi0aSHm
InChI InChI=1S/C28H29ClN2O5S/c1-17-6-5-7-19(14-17)35-12-10-34-11-13-36-25-21(29)15-18(16-22(25)33-2)26-30-27(32)24-20-8-3-4-9-23(20)37-28(24)31-26/h5-7,14-16H,3-4,8-13H2,1-2H3,(H,30,31,32)
InChIKey MFJFIAFGORFZAN-UHFFFAOYSA-N
Mol Weight 541.06 g/mol
Molecular Formula C28H29ClN2O5S
Exact Mass 540.148571 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID aaxg11z9Dm
Name 2-(3-chloro-5-methoxy-4-{2-[2-(3-methylphenoxy)ethoxy]ethoxy}phenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 540.148570911 u
Formula C28H29ClN2O5S
InChI InChI=1S/C28H29ClN2O5S/c1-17-6-5-7-19(14-17)35-12-10-34-11-13-36-25-21(29)15-18(16-22(25)33-2)26-30-27(32)24-20-8-3-4-9-23(20)37-28(24)31-26/h5-7,14-16H,3-4,8-13H2,1-2H3,(H,30,31,32)
InChIKey MFJFIAFGORFZAN-UHFFFAOYSA-N
Molecular Weight 541.062 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4
Solvent DMSO-d6
Source Vendor ID: NMR/12259646