For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(S)-(2-Bromophenyl)-phenylmethyl-(R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

View entire compound with spectra: 2 NMR

(S)-(2-Bromophenyl)-phenylmethyl-(R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
SpectraBase Compound ID IL58wPQKBDj
InChI InChI=1S/C23H18BrF3O3/c1-29-22(23(25,26)27,17-12-6-3-7-13-17)21(28)30-20(16-10-4-2-5-11-16)18-14-8-9-15-19(18)24/h2-15,20H,1H3/t20-,22-/m0/s1
InChIKey FMTXOLHLSADSFC-UNMCSNQZSA-N
Mol Weight 479.29 g/mol
Molecular Formula C23H18BrF3O3
Exact Mass 478.039142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CEFLjvloESm
Name (S)-(2-Bromophenyl)-phenylmethyl-(R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.039141926 u
Formula C23H18BrF3O3
InChI InChI=1S/C23H18BrF3O3/c1-29-22(23(25,26)27,17-12-6-3-7-13-17)21(28)30-20(16-10-4-2-5-11-16)18-14-8-9-15-19(18)24/h2-15,20H,1H3/t20-,22-/m0/s1
InChIKey FMTXOLHLSADSFC-UNMCSNQZSA-N
Molecular Weight 479.293 g/mol
SMILES [C@](OC)(C1=CC=CC=C1)(C(F)(F)F)C(=O)O[C@@](C1=CC=CC=C1)(C1=C(Br)C=CC=C1)[H]