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4H-pyran-3-carboxylic acid, 6-amino-5-cyano-4-[2,5-dimethyl-3-[[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]phenyl]-2-methyl-, methyl ester

View entire compound with spectra: 1 NMR

4H-pyran-3-carboxylic acid, 6-amino-5-cyano-4-[2,5-dimethyl-3-[[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]phenyl]-2-methyl-, methyl ester
SpectraBase Compound ID GqjHh8uEdlB
InChI InChI=1S/C22H21F3N4O3/c1-11-7-14(10-29-6-5-17(28-29)22(23,24)25)12(2)15(8-11)19-16(9-26)20(27)32-13(3)18(19)21(30)31-4/h5-8,19H,10,27H2,1-4H3
InChIKey KICWWWXQMPQPFD-UHFFFAOYSA-N
Mol Weight 446.43 g/mol
Molecular Formula C22H21F3N4O3
Exact Mass 446.156575 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LKGvXSuiviG
Name 4H-pyran-3-carboxylic acid, 6-amino-5-cyano-4-[2,5-dimethyl-3-[[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]phenyl]-2-methyl-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.156575038 u
Formula C22H21F3N4O3
InChI InChI=1S/C22H21F3N4O3/c1-11-7-14(10-29-6-5-17(28-29)22(23,24)25)12(2)15(8-11)19-16(9-26)20(27)32-13(3)18(19)21(30)31-4/h5-8,19H,10,27H2,1-4H3
InChIKey KICWWWXQMPQPFD-UHFFFAOYSA-N
Molecular Weight 446.430 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_9307
Solvent DMSO-d6
Source Vendor ID: NMR/14228154