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3-{[(4-bromo-1H-pyrazol-1-yl)methyl]sulfanyl}-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
SpectraBase Compound ID IlYVzUolr6t
InChI InChI=1S/C14H10BrF3N4S/c15-8-5-20-22(6-8)7-23-13-11(4-19)9-2-1-3-10(9)12(21-13)14(16,17)18/h5-6H,1-3,7H2
InChIKey PKFSBMAWKRKPHI-UHFFFAOYSA-N
Mol Weight 403.22 g/mol
Molecular Formula C14H10BrF3N4S
Exact Mass 401.976165 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JJWBcDf4wIA
Name 3-{[(4-bromo-1H-pyrazol-1-yl)methyl]sulfanyl}-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
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/C14H10BrF3N4S/c15-8-5-20-22(6-8)7-23-13-11(4-19)9-2-1-3-10(9)12(21-13)14(16,17)18/h5-6H,1-3,7H2
InChIKey PKFSBMAWKRKPHI-UHFFFAOYSA-N
NMR Offset 15.3512
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UZI_26187_16586
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/1263945; Labnumber: OLG0941; UZI_ID: UZI-016590
Temperature 318 °C