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2-amino-1-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-4-(1-methyl-1H-pyrazol-4-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
SpectraBase Compound ID 6hXRuzUEYVg
InChI InChI=1S/C21H20ClN5O/c1-12-6-7-14(8-16(12)22)27-17-4-3-5-18(28)20(17)19(15(9-23)21(27)24)13-10-25-26(2)11-13/h6-8,10-11,19H,3-5,24H2,1-2H3
InChIKey FJWUYUGTGXTNQZ-UHFFFAOYSA-N
Mol Weight 393.88 g/mol
Molecular Formula C21H20ClN5O
Exact Mass 393.135638 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3mtXqcrrf4r
Name 2-amino-1-(3-chloro-4-methylphenyl)-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/C21H20ClN5O/c1-12-6-7-14(8-16(12)22)27-17-4-3-5-18(28)20(17)19(15(9-23)21(27)24)13-10-25-26(2)11-13/h6-8,10-11,19H,3-5,24H2,1-2H3
InChIKey FJWUYUGTGXTNQZ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10678
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/9075944; UBI_ID: UBI-010681
Temperature 308 °C