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3-thioxo-1-(trifluoromethyl)-2,3,5,6-tetrahydrobenzo[h]isoquinoline-4-carbonitrile
SpectraBase Compound ID KUVsphpBDq3
InChI InChI=1S/C15H9F3N2S/c16-15(17,18)13-12-9-4-2-1-3-8(9)5-6-10(12)11(7-19)14(21)20-13/h1-4H,5-6H2,(H,20,21)
InChIKey SUMWNCKZJDQOIW-UHFFFAOYSA-N
Mol Weight 306.31 g/mol
Molecular Formula C15H9F3N2S
Exact Mass 306.043854 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3ALi5vQM9lm
Name 3-thioxo-1-(trifluoromethyl)-2,3,5,6-tetrahydrobenzo[h]isoquinoline-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/C15H9F3N2S/c16-15(17,18)13-12-9-4-2-1-3-8(9)5-6-10(12)11(7-19)14(21)20-13/h1-4H,5-6H2,(H,20,21)
InChIKey SUMWNCKZJDQOIW-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18171
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/1011543; Labnumber: TIO0025; UZI_ID: UZI-018178
Temperature 313 °C