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pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-(3,4-dimethoxyphenyl)-1,4-dihydro-4-[4-(trifluoromethyl)phenyl]-
SpectraBase Compound ID LLdroru2kmo
InChI InChI=1S/C22H17F3N4O3/c1-30-15-8-5-12(9-16(15)31-2)19-18-17(11-3-6-13(7-4-11)22(23,24)25)14(10-26)20(27)32-21(18)29-28-19/h3-9,17H,27H2,1-2H3,(H,28,29)
InChIKey QFHZDEZQCPPKFD-UHFFFAOYSA-N
Mol Weight 442.4 g/mol
Molecular Formula C22H17F3N4O3
Exact Mass 442.125275 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BbQ0mex7d9L
Name pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-(3,4-dimethoxyphenyl)-1,4-dihydro-4-[4-(trifluoromethyl)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.125274909 u
Formula C22H17F3N4O3
InChI InChI=1S/C22H17F3N4O3/c1-30-15-8-5-12(9-16(15)31-2)19-18-17(11-3-6-13(7-4-11)22(23,24)25)14(10-26)20(27)32-21(18)29-28-19/h3-9,17H,27H2,1-2H3,(H,28,29)
InChIKey QFHZDEZQCPPKFD-UHFFFAOYSA-N
Molecular Weight 442.398 g/mol
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4410
Solvent DMSO-d6
Source Vendor ID: NMR/9301903; Lab Info: VUR; Lab Number: VUR-0000662