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3-quinolinecarbonitrile, 2-amino-1-(3-bromophenyl)-1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-4-(3-thienyl)-

View entire compound with spectra: 1 NMR

3-quinolinecarbonitrile, 2-amino-1-(3-bromophenyl)-1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-4-(3-thienyl)-
SpectraBase Compound ID 9heNpZRn45L
InChI InChI=1S/C22H20BrN3OS/c1-22(2)9-17-20(18(27)10-22)19(13-6-7-28-12-13)16(11-24)21(25)26(17)15-5-3-4-14(23)8-15/h3-8,12,19H,9-10,25H2,1-2H3
InChIKey QXQPLNLWHNINEL-UHFFFAOYSA-N
Mol Weight 454.39 g/mol
Molecular Formula C22H20BrN3OS
Exact Mass 453.051046 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JbqatXRU40y
Name 3-quinolinecarbonitrile, 2-amino-1-(3-bromophenyl)-1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-4-(3-thienyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.051046449 u
Formula C22H20BrN3OS
InChI InChI=1S/C22H20BrN3OS/c1-22(2)9-17-20(18(27)10-22)19(13-6-7-28-12-13)16(11-24)21(25)26(17)15-5-3-4-14(23)8-15/h3-8,12,19H,9-10,25H2,1-2H3
InChIKey QXQPLNLWHNINEL-UHFFFAOYSA-N
Molecular Weight 454.386 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_941
Solvent DMSO-d6
Source Vendor ID: ZI/8040386; Lab Info: DUD; Lab Number: DUD-5200071