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(S)-((R)-1-(3,5-dimethoxyphenyl)-3-methyl-1-oxobut-3-en-2-yl) 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
SpectraBase Compound ID IdTvVrxZAbK
InChI InChI=1S/C23H23F3O6/c1-14(2)20(19(27)15-11-17(29-3)13-18(12-15)30-4)32-21(28)22(31-5,23(24,25)26)16-9-7-6-8-10-16/h6-13,20H,1H2,2-5H3/t20-,22+/m1/s1
InChIKey ZGSGZIHRSSAVRY-IRLDBZIGSA-N
Mol Weight 452.43 g/mol
Molecular Formula C23H23F3O6
Exact Mass 452.144673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6079y8d1yw7
Name (S)-((R)-1-(3,5-dimethoxyphenyl)-3-methyl-1-oxobut-3-en-2-yl) 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Alternate Name(s) (S)-(R)-1-(3,5-dimethoxyphenyl)-3-methyl-1-oxobut-3-en-2-yl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23F3O6
InChI InChI=1S/C23H23F3O6/c1-14(2)20(19(27)15-11-17(29-3)13-18(12-15)30-4)32-21(28)22(31-5,23(24,25)26)16-9-7-6-8-10-16/h6-13,20H,1H2,2-5H3/t20-,22+/m1/s1
InChIKey ZGSGZIHRSSAVRY-IRLDBZIGSA-N
Literature Reference DOI 10.1002/adsc.200700550
Molecular Weight 452.426 g/mol
SMILES c1(ccccc1)[C@@](OC)(C(F)(F)F)C(O[C@@](C(=O)c1cc(cc(c1)OC)OC)(C(=C)C)[H])=O
SPLASH splash10-014i-0910000000-d16daea575a0c0ee5b8c
Source of Spectrum ASC-350-759/SM15-15_2
Wiley ID 1766100