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2-(2,2,2-trifluoroethyl)triazolyl[2.2]paracyclophane
SpectraBase Compound ID 3HtJyJUb9vg
InChI InChI=1S/C20H18F3N3/c21-20(22,23)12-26-19(24-13-25-26)18-11-16-6-5-14-1-3-15(4-2-14)7-9-17(18)10-8-16/h1-4,8,10-11,13H,5-7,9,12H2
InChIKey XFRFZJFBZIRQKX-UHFFFAOYSA-N
Mol Weight 357.38 g/mol
Molecular Formula C20H18F3N3
Exact Mass 357.145282 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KR05IKqRVDK
Name 2-(2,2,2-trifluoroethyl)triazolyl[2.2]paracyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18F3N3
InChI InChI=1S/C20H18F3N3/c21-20(22,23)12-26-19(24-13-25-26)18-11-16-6-5-14-1-3-15(4-2-14)7-9-17(18)10-8-16/h1-4,8,10-11,13H,5-7,9,12H2
InChIKey XFRFZJFBZIRQKX-UHFFFAOYSA-N
Molecular Weight 357.380 g/mol
SMILES c1([n](CC(F)(F)F)ncn1)-c1c2CCc3ccc(CCc(c1)cc2)cc3
SPLASH splash10-0zfr-0396000000-5019fcd231f9afd6a372
Source of Spectrum U1-2013-6120-25c
Synonyms 2-[1-(2,2,2-trifluoroethyl)-1H-[1,2,4]triazol-5-yl]-[2.2]paracyclophane
Wiley ID 1740383