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2-({[3-(2-hydroxyethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile

View entire compound with spectra: 1 NMR

2-({[3-(2-hydroxyethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
SpectraBase Compound ID FTCKDOe8ar2
InChI InChI=1S/C20H15N3O2S2/c21-11-13-5-1-2-6-14(13)12-26-20-22-17-15-7-3-4-8-16(15)27-18(17)19(25)23(20)9-10-24/h1-8,24H,9-10,12H2
InChIKey BNNOPXCICFKCSO-UHFFFAOYSA-N
Mol Weight 393.48 g/mol
Molecular Formula C20H15N3O2S2
Exact Mass 393.060569 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KKjPxlqEKr7
Name 2-({[3-(2-hydroxyethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.060569081 u
Formula C20H15N3O2S2
InChI InChI=1S/C20H15N3O2S2/c21-11-13-5-1-2-6-14(13)12-26-20-22-17-15-7-3-4-8-16(15)27-18(17)19(25)23(20)9-10-24/h1-8,24H,9-10,12H2
InChIKey BNNOPXCICFKCSO-UHFFFAOYSA-N
Molecular Weight 393.479 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7822
Solvent DMSO-d6
Source Vendor ID: NMR/13218574