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1-(exo)-phenyl-4,7-bis(trifluoromethyl)-1a,5,7a,7b-tetrahydro-1H-cyclopropa[f]phthalazine
SpectraBase Compound ID 1J7kFXAlLAE
InChI InChI=1S/C17H12F6N2/c18-16(19,20)14-10-7-6-9-11(8-4-2-1-3-5-8)12(9)13(10)15(25-24-14)17(21,22)23/h1-7,9,11-13,24H
InChIKey SSRZICAPGBWRIF-UHFFFAOYSA-N
Mol Weight 358.29 g/mol
Molecular Formula C17H12F6N2
Exact Mass 358.090467 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYd8g3Iy8Ik
Name 1-(exo)-phenyl-4,7-bis(trifluoromethyl)-1a,5,7a,7b-tetrahydro-1H-cyclopropa[f]phthalazine
CAS Registry Number 137233-12-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12F6N2
InChI InChI=1S/C17H12F6N2/c18-16(19,20)14-10-7-6-9-11(8-4-2-1-3-5-8)12(9)13(10)15(25-24-14)17(21,22)23/h1-7,9,11-13,24H
InChIKey SSRZICAPGBWRIF-UHFFFAOYSA-N
Molecular Weight 358.287 g/mol
SMILES N1C(=C2C=CC3C(C3C2C(=N1)C(F)(F)F)c1ccccc1)C(F)(F)F
SPLASH splash10-052r-0098000000-d265f8bcddebe723505e
Source of Spectrum K-125-174-8
Synonyms 7-phenyl-1,4-bis(trifluoromethyl)-6a,7,7a,7b-tetrahydro-3H-cyclopropa[f]phthalazine
Wiley ID 1346857