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isothiazolo[5,4-c]quinoline-1(2H)-thione, 4,5-dihydro-4,4,8-trimethyl-2-[4-(trifluoromethyl)phenyl]-
SpectraBase Compound ID 5byH9LgRLb7
InChI InChI=1S/C20H17F3N2S2/c1-11-4-9-15-14(10-11)16-17(19(2,3)24-15)27-25(18(16)26)13-7-5-12(6-8-13)20(21,22)23/h4-10,24H,1-3H3
InChIKey OJBJROZAEGMSGC-UHFFFAOYSA-N
Mol Weight 406.49 g/mol
Molecular Formula C20H17F3N2S2
Exact Mass 406.078525 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3mp5sbh6PGh
Name isothiazolo[5,4-c]quinoline-1(2H)-thione, 4,5-dihydro-4,4,8-trimethyl-2-[4-(trifluoromethyl)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.078525392 u
Formula C20H17F3N2S2
InChI InChI=1S/C20H17F3N2S2/c1-11-4-9-15-14(10-11)16-17(19(2,3)24-15)27-25(18(16)26)13-7-5-12(6-8-13)20(21,22)23/h4-10,24H,1-3H3
InChIKey OJBJROZAEGMSGC-UHFFFAOYSA-N
Molecular Weight 406.485 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1490
Solvent DMSO-d6
Source Vendor ID: NMR/8267742; Lab Info: XXX; Lab Number: X-015637
Temperature 29.85 °C