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ethanone, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6,7-dihydro-2-methyl-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]-
SpectraBase Compound ID KfyqlecArOe
InChI InChI=1S/C20H18N2O3S2/c1-11-21-19(18-13-3-2-4-17(13)27-20(18)22-11)26-10-14(23)12-5-6-15-16(9-12)25-8-7-24-15/h5-6,9H,2-4,7-8,10H2,1H3
InChIKey KGQKJECCFUTCLI-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C20H18N2O3S2
Exact Mass 398.075885 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EAIeDfRmnYs
Name ethanone, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6,7-dihydro-2-methyl-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)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/C20H18N2O3S2/c1-11-21-19(18-13-3-2-4-17(13)27-20(18)22-11)26-10-14(23)12-5-6-15-16(9-12)25-8-7-24-15/h5-6,9H,2-4,7-8,10H2,1H3
InChIKey KGQKJECCFUTCLI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_994
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/11228712