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1-Phenylprop-2-yl .alpha.-[1-(9-anthryl)-2,2,2-trifluoroethoxy]acetate

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1-Phenylprop-2-yl .alpha.-[1-(9-anthryl)-2,2,2-trifluoroethoxy]acetate
SpectraBase Compound ID CRp0Xh4Lgb3
InChI InChI=1S/C27H23F3O3/c1-18(15-19-9-3-2-4-10-19)33-24(31)17-32-26(27(28,29)30)25-22-13-7-5-11-20(22)16-21-12-6-8-14-23(21)25/h2-14,16,18,26H,15,17H2,1H3
InChIKey WWRBDBMRWSIAOD-UHFFFAOYSA-N
Mol Weight 452.47 g/mol
Molecular Formula C27H23F3O3
Exact Mass 452.159929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JQkzf1b84sQ
Name 1-Phenylprop-2-yl .alpha.-[1-(9-anthryl)-2,2,2-trifluoroethoxy]acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.159929087 u
Formula C27H23F3O3
InChI InChI=1S/C27H23F3O3/c1-18(15-19-9-3-2-4-10-19)33-24(31)17-32-26(27(28,29)30)25-22-13-7-5-11-20(22)16-21-12-6-8-14-23(21)25/h2-14,16,18,26H,15,17H2,1H3
InChIKey WWRBDBMRWSIAOD-UHFFFAOYSA-N
Molecular Weight 452.473 g/mol
SMILES C1(C(C(F)(F)F)OCC(OC(CC=2C=CC=CC2)C)=O)=C2C(C=CC=C2)=CC=2C1=CC=CC2