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(S)-((R,E)-4-methyl-3-oxo-5-phenylpent-4-en-2-yl) 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
SpectraBase Compound ID G8gF6JNIjGA
InChI InChI=1S/C22H21F3O4/c1-15(14-17-10-6-4-7-11-17)19(26)16(2)29-20(27)21(28-3,22(23,24)25)18-12-8-5-9-13-18/h4-14,16H,1-3H3/b15-14+/t16-,21+/m1/s1
InChIKey WHHCVCVBIGSUHS-UMIFLIBCSA-N
Mol Weight 406.4 g/mol
Molecular Formula C22H21F3O4
Exact Mass 406.139194 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HO3w63d1Uku
Name (S)-((R,E)-4-methyl-3-oxo-5-phenylpent-4-en-2-yl) 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21F3O4
InChI InChI=1S/C22H21F3O4/c1-15(14-17-10-6-4-7-11-17)19(26)16(2)29-20(27)21(28-3,22(23,24)25)18-12-8-5-9-13-18/h4-14,16H,1-3H3/b15-14+/t16-,21+/m1/s1
InChIKey WHHCVCVBIGSUHS-UMIFLIBCSA-N
Literature Reference DOI 10.1002/adsc.200700550
Molecular Weight 406.401 g/mol
SMILES C[C@](C(\C(=C\c1ccccc1)C)=O)(OC([C@](c1ccccc1)(OC)C(F)(F)F)=O)[H]
SPLASH splash10-0002-1900000000-ba370da36614310ee4e5
Source of Spectrum ASC-350-759/SM12-12_2
Synonyms (S)-(R,E)-4-methyl-3-oxo-5-phenylpent-4-en-2-yl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Wiley ID 1766092