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3-[(4-chlorobenzyl)sulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
SpectraBase Compound ID 7plgxIU6256
InChI InChI=1S/C17H12ClF3N2S/c18-11-6-4-10(5-7-11)9-24-16-14(8-22)12-2-1-3-13(12)15(23-16)17(19,20)21/h4-7H,1-3,9H2
InChIKey ZGUQADPGBZQMJY-UHFFFAOYSA-N
Mol Weight 368.81 g/mol
Molecular Formula C17H12ClF3N2S
Exact Mass 368.036182 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5S0EWoeP8lY
Name 3-[(4-chlorobenzyl)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/C17H12ClF3N2S/c18-11-6-4-10(5-7-11)9-24-16-14(8-22)12-2-1-3-13(12)15(23-16)17(19,20)21/h4-7H,1-3,9H2
InChIKey ZGUQADPGBZQMJY-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19677
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/9147625; UBI_ID: UBI-019681
Temperature 308 °C