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benzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[(1,3-benzodioxol-5-ylmethyl)thio]-5,6,7,8-tetrahydro-7-methyl-3-phenyl-
SpectraBase Compound ID GJpT5Cod27t
InChI InChI=1S/C25H22N2O3S2/c1-15-7-9-18-21(11-15)32-23-22(18)24(28)27(17-5-3-2-4-6-17)25(26-23)31-13-16-8-10-19-20(12-16)30-14-29-19/h2-6,8,10,12,15H,7,9,11,13-14H2,1H3
InChIKey CXEPPOIGXPSWEA-UHFFFAOYSA-N
Mol Weight 462.58 g/mol
Molecular Formula C25H22N2O3S2
Exact Mass 462.107185 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4R4vKfrsYjz
Name benzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[(1,3-benzodioxol-5-ylmethyl)thio]-5,6,7,8-tetrahydro-7-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/C25H22N2O3S2/c1-15-7-9-18-21(11-15)32-23-22(18)24(28)27(17-5-3-2-4-6-17)25(26-23)31-13-16-8-10-19-20(12-16)30-14-29-19/h2-6,8,10,12,15H,7,9,11,13-14H2,1H3
InChIKey CXEPPOIGXPSWEA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_883
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/11228580