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ethanone, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5,6,7,8-tetrahydro-2-methylbenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]-
SpectraBase Compound ID ISTprYqgkMO
InChI InChI=1S/C21H20N2O3S2/c1-12-22-20(19-14-4-2-3-5-18(14)28-21(19)23-12)27-11-15(24)13-6-7-16-17(10-13)26-9-8-25-16/h6-7,10H,2-5,8-9,11H2,1H3
InChIKey WRIJFOFBIYZJTJ-UHFFFAOYSA-N
Mol Weight 412.52 g/mol
Molecular Formula C21H20N2O3S2
Exact Mass 412.091535 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3hMOl7jk07e
Name ethanone, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5,6,7,8-tetrahydro-2-methylbenzo[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/C21H20N2O3S2/c1-12-22-20(19-14-4-2-3-5-18(14)28-21(19)23-12)27-11-15(24)13-6-7-16-17(10-13)26-9-8-25-16/h6-7,10H,2-5,8-9,11H2,1H3
InChIKey WRIJFOFBIYZJTJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_641
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/11228302