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benzoic acid, 4-[3-[[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]-2,5-dimethyl-1H-pyrrol-1-yl]-, methyl ester

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benzoic acid, 4-[3-[[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]-2,5-dimethyl-1H-pyrrol-1-yl]-, methyl ester
SpectraBase Compound ID ASkyPXsZ4lJ
InChI InChI=1S/C25H23N3O3S2/c1-14-11-19(15(2)28(14)17-9-7-16(8-10-17)25(30)31-3)20(29)12-32-23-22-18-5-4-6-21(18)33-24(22)27-13-26-23/h7-11,13H,4-6,12H2,1-3H3
InChIKey BPHXMZSYXYIRMW-UHFFFAOYSA-N
Mol Weight 477.6 g/mol
Molecular Formula C25H23N3O3S2
Exact Mass 477.118084 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 95RoyIYsYFi
Name benzoic acid, 4-[3-[[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]-2,5-dimethyl-1H-pyrrol-1-yl]-, 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/C25H23N3O3S2/c1-14-11-19(15(2)28(14)17-9-7-16(8-10-17)25(30)31-3)20(29)12-32-23-22-18-5-4-6-21(18)33-24(22)27-13-26-23/h7-11,13H,4-6,12H2,1-3H3
InChIKey BPHXMZSYXYIRMW-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_295
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/11219998