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2H-Cyclopenta[l]phenanthren-2-one, 1,3-bis[4-(trifluoromethyl)phenyl]-
SpectraBase Compound ID G7uUC6g1wfJ
InChI InChI=1S/C31H16F6O/c32-30(33,34)19-13-9-17(10-14-19)25-27-23-7-3-1-5-21(23)22-6-2-4-8-24(22)28(27)26(29(25)38)18-11-15-20(16-12-18)31(35,36)37/h1-16H
InChIKey WHHZJKXYUGNSMN-UHFFFAOYSA-N
Mol Weight 518.46 g/mol
Molecular Formula C31H16F6O
Exact Mass 518.110534 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KrEuGzSNHU1
Name 2H-Cyclopenta[l]phenanthren-2-one, 1,3-bis[4-(trifluoromethyl)phenyl]-
CAS Registry Number 108868-45-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H16F6O
InChI InChI=1S/C31H16F6O/c32-30(33,34)19-13-9-17(10-14-19)25-27-23-7-3-1-5-21(23)22-6-2-4-8-24(22)28(27)26(29(25)38)18-11-15-20(16-12-18)31(35,36)37/h1-16H
InChIKey WHHZJKXYUGNSMN-UHFFFAOYSA-N
Molecular Weight 518.458 g/mol
SMILES C=12C(=C(c3ccc(C(F)(F)F)cc3)C(C1c1ccc(C(F)(F)F)cc1)=O)c1ccccc1-c1c2cccc1
SPLASH splash10-0006-0600960000-1d6750f93a3f8d22d615
Source of Spectrum C-109-4663-12
Synonyms 1,3-bis[4-(trifluoromethyl)phenyl]-2H-cyclopenta[l]phenanthren-2-one 1,3-bis[4-(trifluoromethyl)phenyl]cyclopental[I]phenanthren-2-one
Wiley ID 1401740