2,5-Dimethyl-3-[4-(trifluoromethyl)phenyl]-7-{[4-(trifluoromethyl)phenyl]methylene}-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine

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Systematic / IUPAC Name: (7E)-2,5-Dimethyl-7-[4-(trifluoromethyl)benzylidene]-3-[4-(trifluoromethyl)phenyl]-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine

ID: Reference6045

Other Names: 2H-Pyrazolo[4,3-c]pyridine, 3,3a,4,5,6,7-hexahydro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]-7-{[4-(trifluoromethyl)phenyl]methylene}-, (7E)-

Formula: C23H21F6N3

Spectral Data

2,5-Dimethyl-3-[4-(trifluoromethyl)phenyl]-7-{[4-(trifluoromethyl)phenyl]methylene}-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/21/2016 10:14:54 AM
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Identificators

InChI InChI=1S/C23H21F6N3/c1-31-12-16(11-14-3-7-17(8-4-14)22(24,25)26)20-19(13-31)21(32(2)30-20)15-5-9-18(10-6-15)23(27,28)29/h3-11,19,21H,12-13H2,1-2H3/b16-11+
InChI Key KHYACKNGUMLYGX-LFIBNONCSA-N
Canonical SMILES CN1CC2C(N(N=C2C(=CC3=CC=C(C=C3)C(F)(F)F)C1)C)C4=CC=C(C=C4)C(F)(F)F
CAS
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Other Names 2H-Pyrazolo[4,3-c]pyridine, 3,3a,4,5,6,7-hexahydro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]-7-{[4-(trifluoromethyl)phenyl]methylene}-, (7E)-

In Other Databases

ChemSpider 4642824
PubChem 5702486