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(S)-methyl 1-((R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)pyrrolidine-2-carboxylate
SpectraBase Compound ID 3OC8wJiQI6x
InChI InChI=1S/C16H18F3NO4/c1-23-13(21)12-9-6-10-20(12)14(22)15(24-2,16(17,18)19)11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3/t12-,15+/m0/s1
InChIKey DJQDKQKHQVGXMS-SWLSCSKDSA-N
Mol Weight 345.32 g/mol
Molecular Formula C16H18F3NO4
Exact Mass 345.118793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hI4fIXNn0k
Name methyl (2S)-1-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]pyrrolidine-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18F3NO4
InChI InChI=1S/C16H18F3NO4/c1-23-13(21)12-9-6-10-20(12)14(22)15(24-2,16(17,18)19)11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3/t12-,15+/m0/s1
InChIKey DJQDKQKHQVGXMS-SWLSCSKDSA-N
Instrument Name Thermo Electron Trace DSQ
Ionization Type EI
Literature Reference DOI 10.1021/np300455a
Molecular Weight 345.318 g/mol
SMILES C1C[C@](N(C1)C(=O)[C@](c1ccccc1)(C(F)(F)F)OC)(C(OC)=O)[H]
SPLASH splash10-004u-3900000000-d087c3d0fe7fba4229b8
Source of Spectrum G4-76-SM12-5
Wiley ID 1854860