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1H-pyrrole-3-carboxylic acid, 2,4-dimethyl-5-[[[3,5,6,7-tetrahydro-4-oxo-3-(2-propenyl)-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]-, methyl ester

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1H-pyrrole-3-carboxylic acid, 2,4-dimethyl-5-[[[3,5,6,7-tetrahydro-4-oxo-3-(2-propenyl)-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]-, methyl ester
SpectraBase Compound ID 4Nw2SnCL9nW
InChI InChI=1S/C22H23N3O4S2/c1-5-9-25-20(27)17-13-7-6-8-15(13)31-19(17)24-22(25)30-10-14(26)18-11(2)16(12(3)23-18)21(28)29-4/h5,23H,1,6-10H2,2-4H3
InChIKey BGCRTVFCAYBWCT-UHFFFAOYSA-N
Mol Weight 457.56 g/mol
Molecular Formula C22H23N3O4S2
Exact Mass 457.112999 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J8EC8if5fKa
Name 1H-pyrrole-3-carboxylic acid, 2,4-dimethyl-5-[[[3,5,6,7-tetrahydro-4-oxo-3-(2-propenyl)-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]-, 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/C22H23N3O4S2/c1-5-9-25-20(27)17-13-7-6-8-15(13)31-19(17)24-22(25)30-10-14(26)18-11(2)16(12(3)23-18)21(28)29-4/h5,23H,1,6-10H2,2-4H3
InChIKey BGCRTVFCAYBWCT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_949
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/11228658