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ethyl {[3-(cyclohexylmethyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
SpectraBase Compound ID AiRZAR86b0h
InChI InChI=1S/C21H28N2O3S2/c1-2-26-17(24)13-27-21-22-19-18(15-10-6-7-11-16(15)28-19)20(25)23(21)12-14-8-4-3-5-9-14/h14H,2-13H2,1H3
InChIKey QLMAEMKXTMRRJU-UHFFFAOYSA-N
Mol Weight 420.59 g/mol
Molecular Formula C21H28N2O3S2
Exact Mass 420.154135 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jpn5mwG0oMG
Name ethyl {[3-(cyclohexylmethyl)-4-oxo-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/C21H28N2O3S2/c1-2-26-17(24)13-27-21-22-19-18(15-10-6-7-11-16(15)28-19)20(25)23(21)12-14-8-4-3-5-9-14/h14H,2-13H2,1H3
InChIKey QLMAEMKXTMRRJU-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12318
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: 803495; Labnumber: BAD7-400; VK_ID: VK-012323
Temperature 308 °C