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methyl (2S)-3-methyl-2-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]oxy-butanoate
SpectraBase Compound ID F25XlEUBUA1
InChI InChI=1S/C16H19F3O5/c1-10(2)12(13(20)22-3)24-14(21)15(23-4,16(17,18)19)11-8-6-5-7-9-11/h5-10,12H,1-4H3/t12-,15+/m0/s1
InChIKey DLHKKMMLADNJJS-SWLSCSKDSA-N
Mol Weight 348.32 g/mol
Molecular Formula C16H19F3O5
Exact Mass 348.118458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TMqyhQctv0
Name methyl (2S)-3-methyl-2-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]oxy-butanoate
Appearance Yellowish oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19F3O5
InChI InChI=1S/C16H19F3O5/c1-10(2)12(13(20)22-3)24-14(21)15(23-4,16(17,18)19)11-8-6-5-7-9-11/h5-10,12H,1-4H3/t12-,15+/m0/s1
InChIKey DLHKKMMLADNJJS-SWLSCSKDSA-N
Instrument Name Hewlett-Packard 6890N-5975B
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.0c00437
Molecular Weight 348.318 g/mol
SMILES C([C@@](C(OC)=O)(OC([C@@](C(F)(F)F)(c1ccccc1)OC)=O)[H])(C)C
SPLASH splash10-056c-6900000000-4030b62614e7f2d945dd
Source of Spectrum G4-83-2912-(R)-MTPA-(S)-1a
Wiley ID 1876844