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2aH-Cyclopenta[a]cyclopropa[cd]pentalene-2a-carbonitrile, 2.beta.,2c,3,4,5,5a,5b,5c-octahydro-1-(trifluoromethyl)-, (2a.alpha.,2b.alpha.,2c.beta.,5a.alpha.,5b.alpha.,5c.alpha.)-
SpectraBase Compound ID FA689PQfw1b
InChI InChI=1S/C13H12F3N/c14-13(15,16)8-4-12(5-17)10-7-3-1-2-6(7)9(8)11(10)12/h4,6-7,9-11H,1-3H2
InChIKey XGFJOZABKJFNSA-UHFFFAOYSA-N
Mol Weight 239.24 g/mol
Molecular Formula C13H12F3N
Exact Mass 239.092184 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPLW9UyH5Ld
Name 2aH-Cyclopenta[a]cyclopropa[cd]pentalene-2a-carbonitrile, 2.beta.,2c,3,4,5,5a,5b,5c-octahydro-1-(trifluoromethyl)-, (2a.alpha.,2b.alpha.,2c.beta.,5a.alpha.,5b.alpha.,5c.alpha.)-
CAS Registry Number 113429-49-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12F3N
InChI InChI=1S/C13H12F3N/c14-13(15,16)8-4-12(5-17)10-7-3-1-2-6(7)9(8)11(10)12/h4,6-7,9-11H,1-3H2
InChIKey XGFJOZABKJFNSA-UHFFFAOYSA-N
Molecular Weight 239.241 g/mol
SMILES C12(C3C(C(=C2)C(F)(F)F)C2C(C13)CCC2)C#N
SPLASH splash10-001i-9200000000-dccbe922885ce640d423
Source of Spectrum KC-1987-2338-20
Synonyms 1-(trifluoromethyl)-2b,2c,3,4,5,5a,5b,5c-octahydro-2aH-cyclopenta[a]cyclopropa[cd]pentalene-2a-carbonitrile 4-Cyano-6-trifluoromethyl-endo-tetracyclo[6.3.0.0(2,4).0(3,7)]undec-5-ene
Wiley ID 1241897