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(S)-((R,E)-1-(2-chlorophenyl)-3-methyl-2-oxo-4-phenylbut-3-enyl) 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
SpectraBase Compound ID 72mDDilrZYq
InChI InChI=1S/C27H22ClF3O4/c1-18(17-19-11-5-3-6-12-19)23(32)24(21-15-9-10-16-22(21)28)35-25(33)26(34-2,27(29,30)31)20-13-7-4-8-14-20/h3-17,24H,1-2H3/b18-17+/t24-,26+/m1/s1
InChIKey LAYPKCKJUMZDMZ-FWQJLOQBSA-N
Mol Weight 502.92 g/mol
Molecular Formula C27H22ClF3O4
Exact Mass 502.115871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7isNPbQFPRs
Name (S)-((R,E)-1-(2-chlorophenyl)-3-methyl-2-oxo-4-phenylbut-3-enyl) 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22ClF3O4
InChI InChI=1S/C27H22ClF3O4/c1-18(17-19-11-5-3-6-12-19)23(32)24(21-15-9-10-16-22(21)28)35-25(33)26(34-2,27(29,30)31)20-13-7-4-8-14-20/h3-17,24H,1-2H3/b18-17+/t24-,26+/m1/s1
InChIKey LAYPKCKJUMZDMZ-FWQJLOQBSA-N
Literature Reference DOI 10.1002/adsc.200700550
Molecular Weight 502.917 g/mol
SMILES c1(ccccc1)[C@@](OC)(C(F)(F)F)C(=O)O[C@@](C(\C(=C\c1ccccc1)C)=O)(c1c(cccc1)Cl)[H]
SPLASH splash10-0002-0900000000-3fb7b331a993e2b9e711
Source of Spectrum ASC-350-759/SM14-14_3
Synonyms (S)-(R,E)-1-(2-chlorophenyl)-3-methyl-2-oxo-4-phenylbut-3-en-1-yl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Wiley ID 1766097