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ethyl 2-({[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

View entire compound with spectra: 1 NMR

ethyl 2-({[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID 6plHA9nIwTA
InChI InChI=1S/C25H20BrF3N4O4S/c1-3-37-24(35)18-14-5-4-6-16(14)38-23(18)31-22(34)20-19(26)21-30-15(12-7-9-13(36-2)10-8-12)11-17(25(27,28)29)33(21)32-20/h7-11H,3-6H2,1-2H3,(H,31,34)
InChIKey VGCQYYUMRAEOCH-UHFFFAOYSA-N
Mol Weight 609.42 g/mol
Molecular Formula C25H20BrF3N4O4S
Exact Mass 608.034074 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EhQYtQmkBZa
Name ethyl 2-({[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
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/C25H20BrF3N4O4S/c1-3-37-24(35)18-14-5-4-6-16(14)38-23(18)31-22(34)20-19(26)21-30-15(12-7-9-13(36-2)10-8-12)11-17(25(27,28)29)33(21)32-20/h7-11H,3-6H2,1-2H3,(H,31,34)
InChIKey VGCQYYUMRAEOCH-UHFFFAOYSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2286
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: UZI/8049926; UBI_ID: UBI-002287
Temperature 308 °C