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3-thiophenecarboxylic acid, 2-[[[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-4-[4-(1,1-dimethylethyl)phenyl]-, ethyl ester

View entire compound with spectra: 1 NMR

3-thiophenecarboxylic acid, 2-[[[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-4-[4-(1,1-dimethylethyl)phenyl]-, ethyl ester
SpectraBase Compound ID BtRYiKw67mu
InChI InChI=1S/C28H29N3O3S3/c1-5-34-27(33)23-19(16-9-11-17(12-10-16)28(2,3)4)13-35-26(23)31-21(32)14-36-24-22-18-7-6-8-20(18)37-25(22)30-15-29-24/h9-13,15H,5-8,14H2,1-4H3,(H,31,32)
InChIKey QIZIVJGUVWBVMA-UHFFFAOYSA-N
Mol Weight 551.74 g/mol
Molecular Formula C28H29N3O3S3
Exact Mass 551.137105 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4igIAiN4tJH
Name 3-thiophenecarboxylic acid, 2-[[[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-4-[4-(1,1-dimethylethyl)phenyl]-, 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/C28H29N3O3S3/c1-5-34-27(33)23-19(16-9-11-17(12-10-16)28(2,3)4)13-35-26(23)31-21(32)14-36-24-22-18-7-6-8-20(18)37-25(22)30-15-29-24/h9-13,15H,5-8,14H2,1-4H3,(H,31,32)
InChIKey QIZIVJGUVWBVMA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_1042
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/11228771