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

View entire compound with spectra: 2 NMR

methyl 2-({[5-(4-methoxyphenyl)-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 DcLHIDqlvo4
InChI InChI=1S/C26H23F3N4O4S/c1-36-15-10-8-14(9-11-15)17-12-20(26(27,28)29)33-21(30-17)13-18(32-33)23(34)31-24-22(25(35)37-2)16-6-4-3-5-7-19(16)38-24/h8-13H,3-7H2,1-2H3,(H,31,34)
InChIKey RQLXQIRLIMDRGJ-UHFFFAOYSA-N
Mol Weight 544.55 g/mol
Molecular Formula C26H23F3N4O4S
Exact Mass 544.139211 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID jmt7V2bpMP
Name methyl 2-({[5-(4-methoxyphenyl)-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 © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C26H23F3N4O4S/c1-36-15-10-8-14(9-11-15)17-12-20(26(27,28)29)33-21(30-17)13-18(32-33)23(34)31-24-22(25(35)37-2)16-6-4-3-5-7-19(16)38-24/h8-13H,3-7H2,1-2H3,(H,31,34)
InChIKey RQLXQIRLIMDRGJ-UHFFFAOYSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3688
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/8103094; UBI_ID: UBI-003689
Temperature 308 °C