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(S)-Dimethyl 2-((R)-3,3,3- Trifluoro-2-methoxy-2-phenylpropanamido)pentanedioate
SpectraBase Compound ID 1oAFOtsOWhG
InChI InChI=1S/C17H20F3NO6/c1-25-13(22)10-9-12(14(23)26-2)21-15(24)16(27-3,17(18,19)20)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,21,24)/t12-,16+/m0/s1
InChIKey DCWMKGHRXXWGKG-BLLLJJGKSA-N
Mol Weight 391.34 g/mol
Molecular Formula C17H20F3NO6
Exact Mass 391.124272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K8BxopSTVPn
Name (S)-Dimethyl 2-((R)-3,3,3- Trifluoro-2-methoxy-2-phenylpropanamido)pentanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20F3NO6
InChI InChI=1S/C17H20F3NO6/c1-25-13(22)10-9-12(14(23)26-2)21-15(24)16(27-3,17(18,19)20)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,21,24)/t12-,16+/m0/s1
InChIKey DCWMKGHRXXWGKG-BLLLJJGKSA-N
Instrument Name Thermo Electron Trace DSQ
Ionization Type EI
Literature Reference DOI 10.1021/np100155z
Molecular Weight 391.343 g/mol
SMILES N([C@](C(=O)OC)(CCC(OC)=O)[H])C([C@@](C(F)(F)F)(c1ccccc1)OC)=O
SPLASH splash10-006x-1900000000-00f963f688bd685ee77e
Source of Spectrum G4-73-1353-2S,2'R-5
Wiley ID 1848992