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6-Amino-4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SpectraBase Compound ID ALoUeFRKFjJ
InChI InChI=1S/C21H17ClN4O4/c1-28-12-5-3-10(4-6-12)18-17-16(11-7-14(22)19(27)15(8-11)29-2)13(9-23)20(24)30-21(17)26-25-18/h3-8,16,27H,24H2,1-2H3,(H,25,26)
InChIKey QBFYQKFGQKYLMI-UHFFFAOYSA-N
Mol Weight 424.84 g/mol
Molecular Formula C21H17ClN4O4
Exact Mass 424.093833 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JgThCloHbnr
Name pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydro-3-(4-methoxyphenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.093832739 u
Formula C21H17ClN4O4
InChI InChI=1S/C21H17ClN4O4/c1-28-12-5-3-10(4-6-12)18-17-16(11-7-14(22)19(27)15(8-11)29-2)13(9-23)20(24)30-21(17)26-25-18/h3-8,16,27H,24H2,1-2H3,(H,25,26)
InChIKey QBFYQKFGQKYLMI-UHFFFAOYSA-N
Molecular Weight 424.844 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10468
Solvent DMSO-d6
Source Vendor ID: ZI/10037270; Lab Info: VUR; Lab Number: VUR-0001134