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6-Amino-1-[4-(chloro-difluoro-methoxy)-phenyl]-3-methyl-4,4-bis-trifluoromethyl-4,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

6-Amino-1-[4-(chloro-difluoro-methoxy)-phenyl]-3-methyl-4,4-bis-trifluoromethyl-4,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SpectraBase Compound ID 3lL7wAnuYT8
InChI InChI=1S/C17H10ClF8N5O/c1-7-11-13(31(30-7)8-2-4-9(5-3-8)32-17(18,25)26)29-12(28)10(6-27)14(11,15(19,20)21)16(22,23)24/h2-5,29H,28H2,1H3
InChIKey UHBBTOGQNNXWJG-UHFFFAOYSA-N
Mol Weight 487.74 g/mol
Molecular Formula C17H10ClF8N5O
Exact Mass 487.044613 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HPZLMjDmZ3a
Name 1H-pyrazolo[3,4-b]pyridine-5-carbonitrile, 6-amino-1-[4-(chlorodifluoromethoxy)phenyl]-4,7-dihydro-3-methyl-4,4-bis(trifluoromethyl)-
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 487.044612965 u
Formula C17H10ClF8N5O
InChI InChI=1S/C17H10ClF8N5O/c1-7-11-13(31(30-7)8-2-4-9(5-3-8)32-17(18,25)26)29-12(28)10(6-27)14(11,15(19,20)21)16(22,23)24/h2-5,29H,28H2,1H3
InChIKey UHBBTOGQNNXWJG-UHFFFAOYSA-N
Molecular Weight 487.741 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15873
Solvent DMSO-d6
Source Vendor ID: NMR/11250488; Lab Info: AU; Lab Number: AU-p000552