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2-{3-[(3,4-diethoxybenzyl)oxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID LTbk06OAEIe
InChI InChI=1S/C27H28N2O4S/c1-3-31-21-13-12-17(14-22(21)32-4-2)16-33-19-9-7-8-18(15-19)25-28-26(30)24-20-10-5-6-11-23(20)34-27(24)29-25/h7-9,12-15H,3-6,10-11,16H2,1-2H3,(H,28,29,30)
InChIKey FCSPSGYOCRBCGT-UHFFFAOYSA-N
Mol Weight 476.59 g/mol
Molecular Formula C27H28N2O4S
Exact Mass 476.176979 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BQ0or0UL60J
Name 2-{3-[(3,4-diethoxybenzyl)oxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
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/C27H28N2O4S/c1-3-31-21-13-12-17(14-22(21)32-4-2)16-33-19-9-7-8-18(15-19)25-28-26(30)24-20-10-5-6-11-23(20)34-27(24)29-25/h7-9,12-15H,3-6,10-11,16H2,1-2H3,(H,28,29,30)
InChIKey FCSPSGYOCRBCGT-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31261
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: 1751595; SBI_ID: SBI-031265
Temperature 306 °C