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4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[(6,7-dihydro-2-methyl-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-5,6-dihydro-, methyl ester

View entire compound with spectra: 1 NMR

4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[(6,7-dihydro-2-methyl-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-5,6-dihydro-, methyl ester
SpectraBase Compound ID ArnkhpFQi4J
InChI InChI=1S/C21H21N3O3S3/c1-10-22-18(16-11-5-3-7-13(11)29-19(16)23-10)28-9-15(25)24-20-17(21(26)27-2)12-6-4-8-14(12)30-20/h3-9H2,1-2H3,(H,24,25)
InChIKey FBZJJRIGTWXUEL-UHFFFAOYSA-N
Mol Weight 459.6 g/mol
Molecular Formula C21H21N3O3S3
Exact Mass 459.074505 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9scsHagu5PA
Name 4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[(6,7-dihydro-2-methyl-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-5,6-dihydro-, 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/C21H21N3O3S3/c1-10-22-18(16-11-5-3-7-13(11)29-19(16)23-10)28-9-15(25)24-20-17(21(26)27-2)12-6-4-8-14(12)30-20/h3-9H2,1-2H3,(H,24,25)
InChIKey FBZJJRIGTWXUEL-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_1019
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/11228739