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methyl 2-({[5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

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methyl 2-({[5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 2Tql93SLJcM
InChI InChI=1S/C23H19F3N4O4S/c1-33-22(32)19-12-6-3-2-4-8-16(12)35-21(19)28-20(31)14-11-18-27-13(15-7-5-9-34-15)10-17(23(24,25)26)30(18)29-14/h5,7,9-11H,2-4,6,8H2,1H3,(H,28,31)
InChIKey DZRULOROKSFOKY-UHFFFAOYSA-N
Mol Weight 504.48 g/mol
Molecular Formula C23H19F3N4O4S
Exact Mass 504.107911 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GvsrtWmTA7W
Name methyl 2-({[5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[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/C23H19F3N4O4S/c1-33-22(32)19-12-6-3-2-4-8-16(12)35-21(19)28-20(31)14-11-18-27-13(15-7-5-9-34-15)10-17(23(24,25)26)30(18)29-14/h5,7,9-11H,2-4,6,8H2,1H3,(H,28,31)
InChIKey DZRULOROKSFOKY-UHFFFAOYSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3707
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/8104363; UBI_ID: UBI-003708
Temperature 308 °C