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3-thioxo-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile

View entire compound with spectra: 1 NMR

3-thioxo-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile
SpectraBase Compound ID G28P6x3kF2c
InChI InChI=1S/C11H9F3N2S/c12-11(13,14)9-7-4-2-1-3-6(7)8(5-15)10(17)16-9/h1-4H2,(H,16,17)
InChIKey MAWZDKCTPKZVMI-UHFFFAOYSA-N
Mol Weight 258.26 g/mol
Molecular Formula C11H9F3N2S
Exact Mass 258.043854 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3IjYw3Ckjql
Name 3-thioxo-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile
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/C11H9F3N2S/c12-11(13,14)9-7-4-2-1-3-6(7)8(5-15)10(17)16-9/h1-4H2,(H,16,17)
InChIKey MAWZDKCTPKZVMI-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18172
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/1012414; Labnumber: TIO0026; UZI_ID: UZI-018179
Temperature 313 °C