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3-[(2-fluorobenzyl)sulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
SpectraBase Compound ID 5sWJufiFcMw
InChI InChI=1S/C17H12F4N2S/c18-14-7-2-1-4-10(14)9-24-16-13(8-22)11-5-3-6-12(11)15(23-16)17(19,20)21/h1-2,4,7H,3,5-6,9H2
InChIKey GUULEKABCIMVHO-UHFFFAOYSA-N
Mol Weight 352.35 g/mol
Molecular Formula C17H12F4N2S
Exact Mass 352.065732 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CDYiHfezf64
Name 3-[(2-fluorobenzyl)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/C17H12F4N2S/c18-14-7-2-1-4-10(14)9-24-16-13(8-22)11-5-3-6-12(11)15(23-16)17(19,20)21/h1-2,4,7H,3,5-6,9H2
InChIKey GUULEKABCIMVHO-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19420
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/9141937; UBI_ID: UBI-019424
Temperature 313 °C