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ethyl 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 4UZbKNPuiq8
InChI InChI=1S/C24H21F3N4O4S/c1-2-34-23(33)20-13-7-4-3-5-9-17(13)36-22(20)29-21(32)15-12-19-28-14(16-8-6-10-35-16)11-18(24(25,26)27)31(19)30-15/h6,8,10-12H,2-5,7,9H2,1H3,(H,29,32)
InChIKey FEKPIKIYTYPZPC-UHFFFAOYSA-N
Mol Weight 518.51 g/mol
Molecular Formula C24H21F3N4O4S
Exact Mass 518.123561 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KFNnSDeHeAJ
Name ethyl 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/C24H21F3N4O4S/c1-2-34-23(33)20-13-7-4-3-5-9-17(13)36-22(20)29-21(32)15-12-19-28-14(16-8-6-10-35-16)11-18(24(25,26)27)31(19)30-15/h6,8,10-12H,2-5,7,9H2,1H3,(H,29,32)
InChIKey FEKPIKIYTYPZPC-UHFFFAOYSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2300
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/8050121; UBI_ID: UBI-002301
Temperature 308 °C