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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHzCYfpFUIj
Name 3-Amino-2-phenyl-5,5-bis(trifluoromethyl)-1H-pyrazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
SMILES NC=1N(NC(C1C#N)(C(F)(F)F)C(F)(F)F)c1ccccc1
SPLASH splash10-0ufr-9090000000-3cd07b13b1e9af48b812
Source of Spectrum F9-1998-2419-0
Synonyms 3-Azanyl-2-phenyl-5,5-bis(trifluoromethyl)-1H-pyrazole-4-carbonitrile 5-Amino-1-phenyl-3,3-bis(trifluoromethyl)-2,3-dihydro-1H-pyrazole-4-carbonitrile 5-Amino-1-phenyl-3,3-bis(trifluoromethyl)-3-pyrazoline-4-carbonitrile
Wiley ID 1565938