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ethyl 1-({[4-cyano-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate
SpectraBase Compound ID IarRmpaVrPw
InChI InChI=1S/C17H15F3N4O2S/c1-2-26-16(25)13-6-7-24(23-13)9-27-15-12(8-21)10-4-3-5-11(10)14(22-15)17(18,19)20/h6-7H,2-5,9H2,1H3
InChIKey ZPFDEOQLQBZYBU-UHFFFAOYSA-N
Mol Weight 396.39 g/mol
Molecular Formula C17H15F3N4O2S
Exact Mass 396.086781 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5Ph7uMa2oHq
Name ethyl 1-({[4-cyano-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]sulfanyl}methyl)-1H-pyrazole-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/C17H15F3N4O2S/c1-2-26-16(25)13-6-7-24(23-13)9-27-15-12(8-21)10-4-3-5-11(10)14(22-15)17(18,19)20/h6-7H,2-5,9H2,1H3
InChIKey ZPFDEOQLQBZYBU-UHFFFAOYSA-N
NMR Offset 15.3512
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UZI_26187_16578
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: UZI/1262681; Labnumber: OLG0928; UZI_ID: UZI-016582
Temperature 318 °C