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2-amino-1-(4-chloro-2-nitrophenyl)-7,7-dimethyl-4-(1-methyl-1H-pyrazol-4-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

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2-amino-1-(4-chloro-2-nitrophenyl)-7,7-dimethyl-4-(1-methyl-1H-pyrazol-4-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
SpectraBase Compound ID 8cFHZGWxNxZ
InChI InChI=1S/C22H21ClN6O3/c1-22(2)7-17-20(18(30)8-22)19(12-10-26-27(3)11-12)14(9-24)21(25)28(17)15-5-4-13(23)6-16(15)29(31)32/h4-6,10-11,19H,7-8,25H2,1-3H3
InChIKey ZCSLCIUSHMPUDC-UHFFFAOYSA-N
Mol Weight 452.9 g/mol
Molecular Formula C22H21ClN6O3
Exact Mass 452.136366 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DHSJROkR81w
Name 2-amino-1-(4-chloro-2-nitrophenyl)-7,7-dimethyl-4-(1-methyl-1H-pyrazol-4-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
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/C22H21ClN6O3/c1-22(2)7-17-20(18(30)8-22)19(12-10-26-27(3)11-12)14(9-24)21(25)28(17)15-5-4-13(23)6-16(15)29(31)32/h4-6,10-11,19H,7-8,25H2,1-3H3
InChIKey ZCSLCIUSHMPUDC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13418
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/9126860; UBI_ID: UBI-013421
Temperature 318 °C