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5-AMINO-4-CYANO-3,3-BIS(TRIFLUOROMETHYL)-1-PHENYL-4-PYRAZOLINE

View entire compound with spectra: 4 NMR, and 1 MS (GC)

5-AMINO-4-CYANO-3,3-BIS(TRIFLUOROMETHYL)-1-PHENYL-4-PYRAZOLINE
SpectraBase Compound ID 12vAzuR12Rj
InChI InChI=1S/C12H8F6N4/c13-11(14,15)10(12(16,17)18)8(6-19)9(20)22(21-10)7-4-2-1-3-5-7/h1-5,21H,20H2
InChIKey LSLGPAPUUKSHRP-UHFFFAOYSA-N
Mol Weight 322.21 g/mol
Molecular Formula C12H8F6N4
Exact Mass 322.065315 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID La5ADyf5NS3
Name 1H-pyrazole-4-carbonitrile, 5-amino-2,3-dihydro-1-phenyl-3,3-bis(trifluoromethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.065315252 u
Formula C12H8F6N4
InChI InChI=1S/C12H8F6N4/c13-11(14,15)10(12(16,17)18)8(6-19)9(20)22(21-10)7-4-2-1-3-5-7/h1-5,21H,20H2
InChIKey LSLGPAPUUKSHRP-UHFFFAOYSA-N
Molecular Weight 322.214 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5473
Solvent DMSO-d6
Source Vendor ID: NMR/9243347; Lab Info: AU; Lab Number: AU-0000769