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

View entire compound with spectra: 1 NMR

1H-pyrrole-3-carboxylic acid, 5-[[(6,7-dihydro-2-methyl-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]-2,4-dimethyl-, ethyl ester
SpectraBase Compound ID ChBKUH5wLNa
InChI InChI=1S/C21H23N3O3S2/c1-5-27-21(26)16-10(2)18(22-11(16)3)14(25)9-28-19-17-13-7-6-8-15(13)29-20(17)24-12(4)23-19/h22H,5-9H2,1-4H3
InChIKey KLMNFGHFLJBYJC-UHFFFAOYSA-N
Mol Weight 429.55 g/mol
Molecular Formula C21H23N3O3S2
Exact Mass 429.118084 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3RMEv82Oj2Q
Name 1H-pyrrole-3-carboxylic acid, 5-[[(6,7-dihydro-2-methyl-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]-2,4-dimethyl-, ethyl 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/C21H23N3O3S2/c1-5-27-21(26)16-10(2)18(22-11(16)3)14(25)9-28-19-17-13-7-6-8-15(13)29-20(17)24-12(4)23-19/h22H,5-9H2,1-4H3
InChIKey KLMNFGHFLJBYJC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_722
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/11228399