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2-amino-4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

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2-amino-4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID 9db1keKUH6b
InChI InChI=1S/C22H21ClN4O2/c1-12-17(20(23)27(26-12)13-7-5-4-6-8-13)18-14(11-24)21(25)29-16-10-22(2,3)9-15(28)19(16)18/h4-8,18H,9-10,25H2,1-3H3
InChIKey CURXECZFPFVPRY-UHFFFAOYSA-N
Mol Weight 408.89 g/mol
Molecular Formula C22H21ClN4O2
Exact Mass 408.135304 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IldHMOmhRN1
Name 2-amino-4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
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/C22H21ClN4O2/c1-12-17(20(23)27(26-12)13-7-5-4-6-8-13)18-14(11-24)21(25)29-16-10-22(2,3)9-15(28)19(16)18/h4-8,18H,9-10,25H2,1-3H3
InChIKey CURXECZFPFVPRY-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_888
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: ZI/8162775; Labnumber: TSH-f000819
Temperature 303 °C