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2-{[3-(2-hydroxyethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
SpectraBase Compound ID A86ICxHmkVU
InChI InChI=1S/C21H19N3O4S2/c1-28-14-6-4-5-13(11-14)22-17(26)12-29-21-23-18-15-7-2-3-8-16(15)30-19(18)20(27)24(21)9-10-25/h2-8,11,25H,9-10,12H2,1H3,(H,22,26)
InChIKey WKUSXXXNITVKJR-UHFFFAOYSA-N
Mol Weight 441.52 g/mol
Molecular Formula C21H19N3O4S2
Exact Mass 441.081698 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID oR7bVOkJtQ
Name 2-{[3-(2-hydroxyethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.081698448 u
Formula C21H19N3O4S2
InChI InChI=1S/C21H19N3O4S2/c1-28-14-6-4-5-13(11-14)22-17(26)12-29-21-23-18-15-7-2-3-8-16(15)30-19(18)20(27)24(21)9-10-25/h2-8,11,25H,9-10,12H2,1H3,(H,22,26)
InChIKey WKUSXXXNITVKJR-UHFFFAOYSA-N
Molecular Weight 441.520 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7798
Solvent DMSO-d6
Source Vendor ID: NMR/13218543