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2-(4-bromophenyl)-8-ethoxy-4,4-dimethyl-4,5-dihydroisothiazolo[5,4-c]quinoline-1(2H)-thione
SpectraBase Compound ID 7xDNmUdSy5O
InChI InChI=1S/C20H19BrN2OS2/c1-4-24-14-9-10-16-15(11-14)17-18(20(2,3)22-16)26-23(19(17)25)13-7-5-12(21)6-8-13/h5-11,22H,4H2,1-3H3
InChIKey AORRBAZEIYMYHM-UHFFFAOYSA-N
Mol Weight 447.41 g/mol
Molecular Formula C20H19BrN2OS2
Exact Mass 446.012219 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2ieJbXyPlUv
Name isothiazolo[5,4-c]quinoline-1(2H)-thione, 2-(4-bromophenyl)-8-ethoxy-4,5-dihydro-4,4-dimethyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.012218587 u
Formula C20H19BrN2OS2
InChI InChI=1S/C20H19BrN2OS2/c1-4-24-14-9-10-16-15(11-14)17-18(20(2,3)22-16)26-23(19(17)25)13-7-5-12(21)6-8-13/h5-11,22H,4H2,1-3H3
InChIKey AORRBAZEIYMYHM-UHFFFAOYSA-N
Molecular Weight 447.409 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3978
Solvent DMSO-d6
Source Vendor ID: ZI/9044917; Lab Info: VGY; Lab Number: VGY-0005956
Temperature 29.85 °C