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4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 2-[[(3,4-dichlorophenyl)methyl]thio]-6-ethyl-3,5,6,8-tetrahydro-6-methyl-3-phenyl-
SpectraBase Compound ID 1WpihUTiB5W
InChI InChI=1S/C25H22Cl2N2O2S2/c1-3-25(2)12-17-20(13-31-25)33-22-21(17)23(30)29(16-7-5-4-6-8-16)24(28-22)32-14-15-9-10-18(26)19(27)11-15/h4-11H,3,12-14H2,1-2H3
InChIKey GBHSPSHXWVNGFU-UHFFFAOYSA-N
Mol Weight 517.49 g/mol
Molecular Formula C25H22Cl2N2O2S2
Exact Mass 516.049976 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KHQLCu1zj0r
Name 4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 2-[[(3,4-dichlorophenyl)methyl]thio]-6-ethyl-3,5,6,8-tetrahydro-6-methyl-3-phenyl-
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/C25H22Cl2N2O2S2/c1-3-25(2)12-17-20(13-31-25)33-22-21(17)23(30)29(16-7-5-4-6-8-16)24(28-22)32-14-15-9-10-18(26)19(27)11-15/h4-11H,3,12-14H2,1-2H3
InChIKey GBHSPSHXWVNGFU-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_3080
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/11248606