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methyl 5-({[4-cyano-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]sulfanyl}methyl)-2-furoate
SpectraBase Compound ID 2FqxGvGcAqI
InChI InChI=1S/C17H13F3N2O3S/c1-24-16(23)13-6-5-9(25-13)8-26-15-12(7-21)10-3-2-4-11(10)14(22-15)17(18,19)20/h5-6H,2-4,8H2,1H3
InChIKey ATBWDYOAJMTKRZ-UHFFFAOYSA-N
Mol Weight 382.36 g/mol
Molecular Formula C17H13F3N2O3S
Exact Mass 382.059898 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JN9jg06pWi8
Name methyl 5-({[4-cyano-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]sulfanyl}methyl)-2-furoate
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/C17H13F3N2O3S/c1-24-16(23)13-6-5-9(25-13)8-26-15-12(7-21)10-3-2-4-11(10)14(22-15)17(18,19)20/h5-6H,2-4,8H2,1H3
InChIKey ATBWDYOAJMTKRZ-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UZI_26187_16315
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/9133465; Labnumber: OLALKSH/0171; UZI_ID: UZI-016319
Temperature 318 °C