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{[3-(2-hydroxyethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetonitrile
SpectraBase Compound ID 6txAgAAGmlF
InChI InChI=1S/C14H11N3O2S2/c15-5-8-20-14-16-11-9-3-1-2-4-10(9)21-12(11)13(19)17(14)6-7-18/h1-4,18H,6-8H2
InChIKey MNRUCBQLDYSFPZ-UHFFFAOYSA-N
Mol Weight 317.38 g/mol
Molecular Formula C14H11N3O2S2
Exact Mass 317.029269 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bqv7KTxTK56
Name {[3-(2-hydroxyethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetonitrile
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.029268952 u
Formula C14H11N3O2S2
InChI InChI=1S/C14H11N3O2S2/c15-5-8-20-14-16-11-9-3-1-2-4-10(9)21-12(11)13(19)17(14)6-7-18/h1-4,18H,6-8H2
InChIKey MNRUCBQLDYSFPZ-UHFFFAOYSA-N
Molecular Weight 317.381 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7811
Solvent DMSO-d6
Source Vendor ID: NMR/13218560