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benzoic acid, 4-[[(3,4,5,6,7,8-hexahydro-4-oxo-3-phenylbenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]methyl]-, methyl ester
SpectraBase Compound ID IK2ewxE5igX
InChI InChI=1S/C25H22N2O3S2/c1-30-24(29)17-13-11-16(12-14-17)15-31-25-26-22-21(19-9-5-6-10-20(19)32-22)23(28)27(25)18-7-3-2-4-8-18/h2-4,7-8,11-14H,5-6,9-10,15H2,1H3
InChIKey VOTFCSREZQUBFN-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 5InupXgltiA
Name benzoic acid, 4-[[(3,4,5,6,7,8-hexahydro-4-oxo-3-phenylbenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]methyl]-, methyl ester
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/c1-30-24(29)17-13-11-16(12-14-17)15-31-25-26-22-21(19-9-5-6-10-20(19)32-22)23(28)27(25)18-7-3-2-4-8-18/h2-4,7-8,11-14H,5-6,9-10,15H2,1H3
InChIKey VOTFCSREZQUBFN-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6333
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/10266475