For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
ethyl {[4-oxo-3-(4-pyridinylmethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
SpectraBase Compound ID SCy15DqOeq
InChI InChI=1S/C20H21N3O3S2/c1-2-26-16(24)12-27-20-22-18-17(14-5-3-4-6-15(14)28-18)19(25)23(20)11-13-7-9-21-10-8-13/h7-10H,2-6,11-12H2,1H3
InChIKey JKFFLTRTXYHJMI-UHFFFAOYSA-N
Mol Weight 415.53 g/mol
Molecular Formula C20H21N3O3S2
Exact Mass 415.102434 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JZmszHKHpkl
Name ethyl {[4-oxo-3-(4-pyridinylmethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
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/C20H21N3O3S2/c1-2-26-16(24)12-27-20-22-18-17(14-5-3-4-6-15(14)28-18)19(25)23(20)11-13-7-9-21-10-8-13/h7-10H,2-6,11-12H2,1H3
InChIKey JKFFLTRTXYHJMI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8070
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: UZI/1269864; Labnumber: COL6715; UZI_ID: UZI-008072
Temperature 306 °C