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10,10-dimethyl-8-(trifluoromethyl)-10H-benzo[b]fluoren-11-yl acetate
SpectraBase Compound ID IEmVcG3SFmV
InChI InChI=1S/C22H17F3O2/c1-12(26)27-20-16-7-5-4-6-15(16)17-10-13-8-9-14(22(23,24)25)11-18(13)21(2,3)19(17)20/h4-11H,1-3H3
InChIKey BJIJTSQCOZIEQG-UHFFFAOYSA-N
Mol Weight 370.37 g/mol
Molecular Formula C22H17F3O2
Exact Mass 370.118064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8c7DimQx3S
Name 10,10-dimethyl-8-(trifluoromethyl)-10H-benzo[b]fluoren-11-yl acetate
Appearance Yellow solid
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Exact Mass 370.118064274 u
Formula C22H17F3O2
InChI InChI=1S/C22H17F3O2/c1-12(26)27-20-16-7-5-4-6-15(16)17-10-13-8-9-14(22(23,24)25)11-18(13)21(2,3)19(17)20/h4-11H,1-3H3
InChIKey BJIJTSQCOZIEQG-UHFFFAOYSA-N
Instrument Name JEOL JMD-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201501725
Molecular Weight 370.371 g/mol
Reported Formula C22H17O2F3
SMILES CC1(C2=C(C=C3C4=C(C=CC=C4)C(=C13)OC(C)=O)C=CC(=C2)C(F)(F)F)C
SPLASH splash10-03di-0009000000-250d57fa3ad9b246edd8
Sample Comments Isomeric mixture (62:38)
Source of Spectrum QE-21-SM68-3m (DOI: 10.1002/chem.201501725)
Thin-Layer Chromatography 0.50 (PE/EA, 5:1)
Wiley ID 1907106