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[(1S,2S)-2-[methyl-(2,2,2-trifluoroacetyl)amino]-1-phenyl-propyl] 2,2,2-trifluoroacetate
SpectraBase Compound ID E3ftTM32uci
InChI InChI=1S/C14H13F6NO3/c1-8(21(2)11(22)13(15,16)17)10(9-6-4-3-5-7-9)24-12(23)14(18,19)20/h3-8,10H,1-2H3/t8-,10+/m0/s1
InChIKey KMUFRRQXCALIPC-WCBMZHEXSA-N
Mol Weight 357.25 g/mol
Molecular Formula C14H13F6NO3
Exact Mass 357.079962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6J3720ohzjh
Name [(1S,2S)-2-[methyl-(2,2,2-trifluoroacetyl)amino]-1-phenyl-propyl] 2,2,2-trifluoroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13F6NO3
InChI InChI=1S/C14H13F6NO3/c1-8(21(2)11(22)13(15,16)17)10(9-6-4-3-5-7-9)24-12(23)14(18,19)20/h3-8,10H,1-2H3/t8-,10+/m0/s1
InChIKey KMUFRRQXCALIPC-WCBMZHEXSA-N
Literature Reference DOI 10.1002/rcm.2499
Molecular Weight 357.252 g/mol
SMILES c1cc(ccc1)[C@@]([C@@](N(C(C(F)(F)F)=O)C)(C)[H])(OC(C(F)(F)F)=O)[H]
SPLASH splash10-0udi-0900000000-87fb65b6e9c6995f2958
Source of Spectrum RCM-20-1727-Pseudoephedrine_2TFAA
Synonyms (1S,2S)-1-phenyl-2-(2,2,2-trifluoro-N-methylacetamido)propyl 2,2,2-trifluoroacetate
Wiley ID 1820309