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.alpha.-[1-(9-Anthryl)-2,2,2-trifluoroethyoxy]acetic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

.alpha.-[1-(9-Anthryl)-2,2,2-trifluoroethyoxy]acetic acid
SpectraBase Compound ID AJjN10isn4S
InChI InChI=1S/C18H13F3O3/c19-18(20,21)17(24-10-15(22)23)16-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)16/h1-9,17H,10H2,(H,22,23)
InChIKey CONBBCZIIVGVCF-UHFFFAOYSA-N
Mol Weight 334.29 g/mol
Molecular Formula C18H13F3O3
Exact Mass 334.081679 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9884HFSn1sz
Name .alpha.-[1-(9-Anthryl)-2,2,2-trifluoroethyoxy]acetic acid
Comments Computed using HOSE algorithm
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Exact Mass 334.081678765 u
Formula C18H13F3O3
InChI InChI=1S/C18H13F3O3/c19-18(20,21)17(24-10-15(22)23)16-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)16/h1-9,17H,10H2,(H,22,23)
InChIKey CONBBCZIIVGVCF-UHFFFAOYSA-N
Molecular Weight 334.294 g/mol
SMILES C1(C(C(F)(F)F)OCC(=O)O)=C2C(C=CC=C2)=CC=2C1=CC=CC2