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ethyl 2-({[5-phenyl-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 KqjXt7kcbIg
InChI InChI=1S/C26H23F3N4O3S/c1-2-36-25(35)22-16-11-7-4-8-12-19(16)37-24(22)31-23(34)18-14-21-30-17(15-9-5-3-6-10-15)13-20(26(27,28)29)33(21)32-18/h3,5-6,9-10,13-14H,2,4,7-8,11-12H2,1H3,(H,31,34)
InChIKey NHJVRDCINDASAP-UHFFFAOYSA-N
Mol Weight 528.55 g/mol
Molecular Formula C26H23F3N4O3S
Exact Mass 528.144296 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D0hMbCBnphC
Name ethyl 2-({[5-phenyl-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/C26H23F3N4O3S/c1-2-36-25(35)22-16-11-7-4-8-12-19(16)37-24(22)31-23(34)18-14-21-30-17(15-9-5-3-6-10-15)13-20(26(27,28)29)33(21)32-18/h3,5-6,9-10,13-14H,2,4,7-8,11-12H2,1H3,(H,31,34)
InChIKey NHJVRDCINDASAP-UHFFFAOYSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1510
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/8019036; UBI_ID: UBI-001511
Temperature 308 °C