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4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, 3-cyclohexyl-3,5,6,7,8,9-hexahydro-2-[(2-oxo-2-phenylethyl)thio]-
SpectraBase Compound ID 9kybPYI8AMe
InChI InChI=1S/C25H28N2O2S2/c28-20(17-10-4-1-5-11-17)16-30-25-26-23-22(19-14-8-3-9-15-21(19)31-23)24(29)27(25)18-12-6-2-7-13-18/h1,4-5,10-11,18H,2-3,6-9,12-16H2
InChIKey URUDUMRVXQJFOY-UHFFFAOYSA-N
Mol Weight 452.63 g/mol
Molecular Formula C25H28N2O2S2
Exact Mass 452.15922 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 56gMGjmtogh
Name 4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, 3-cyclohexyl-3,5,6,7,8,9-hexahydro-2-[(2-oxo-2-phenylethyl)thio]-
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/C25H28N2O2S2/c28-20(17-10-4-1-5-11-17)16-30-25-26-23-22(19-14-8-3-9-15-21(19)31-23)24(29)27(25)18-12-6-2-7-13-18/h1,4-5,10-11,18H,2-3,6-9,12-16H2
InChIKey URUDUMRVXQJFOY-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_66
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: NMR/11249670