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1-(exo)-t-butyl-4,7-bis(trifluoromethyl)-1a,7b-dihydro-1H-cyclopropa[f]phthalazine

View entire compound with spectra: 1 MS (GC)

1-(exo)-t-butyl-4,7-bis(trifluoromethyl)-1a,7b-dihydro-1H-cyclopropa[f]phthalazine
SpectraBase Compound ID BIFLFszcj5F
InChI InChI=1S/C15H14F6N2/c1-13(2,3)12-9-7(11(22-23-12)15(19,20)21)5-4-6-8(9)10(6)14(16,17)18/h4-5,8-9,12H,1-3H3/t8?,9-,12-/m1/s1
InChIKey MZALYBOQKKFWJV-LHYZIERNSA-N
Mol Weight 336.28 g/mol
Molecular Formula C15H14F6N2
Exact Mass 336.106117 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FYehBE3Myaw
Name 1-(exo)-t-butyl-4,7-bis(trifluoromethyl)-1a,7b-dihydro-1H-cyclopropa[f]phthalazine
CAS Registry Number 137233-16-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14F6N2
InChI InChI=1S/C15H14F6N2/c1-13(2,3)12-9-7(11(22-23-12)15(19,20)21)5-4-6-8(9)10(6)14(16,17)18/h4-5,8-9,12H,1-3H3/t8?,9-,12-/m1/s1
InChIKey MZALYBOQKKFWJV-LHYZIERNSA-N
Molecular Weight 336.281 g/mol
SMILES C1(=C2C=CC3=C(C(F)(F)F)N=N[C@]([C@]3(C12)[H])(C(C)(C)C)[H])C(F)(F)F
SPLASH splash10-014i-0090000000-c51128e6115f3ceb9a0a
Source of Spectrum K-125-175-12
Synonyms (1R,7bS)-1-tert-butyl-4,7-bis(trifluoromethyl)-7a,7b-dihydro-1H-cyclopropa[f]phthalazine
Wiley ID 1332119