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(2R,3R,4S,5R)-2-(Methoxycarbonyl)-4-nitro-5-phenyl-3-(trifluoromethyl)pyrrolidine
SpectraBase Compound ID IuAyVrDzquB
InChI InChI=1S/C13H13F3N2O4/c1-22-12(19)10-8(13(14,15)16)11(18(20)21)9(17-10)7-5-3-2-4-6-7/h2-6,8-11,17H,1H3/t8-,9-,10-,11+/m1/s1
InChIKey MKXKRJLZHRPRNB-DBIOUOCHSA-N
Mol Weight 318.25 g/mol
Molecular Formula C13H13F3N2O4
Exact Mass 318.082741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cOqXdTKJjo
Name (2R,3R,4S,5R)-2-(Methoxycarbonyl)-4-nitro-5-phenyl-3-(trifluoromethyl)pyrrolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13F3N2O4
InChI InChI=1S/C13H13F3N2O4/c1-22-12(19)10-8(13(14,15)16)11(18(20)21)9(17-10)7-5-3-2-4-6-7/h2-6,8-11,17H,1H3/t8-,9-,10-,11+/m1/s1
InChIKey MKXKRJLZHRPRNB-DBIOUOCHSA-N
Molecular Weight 318.252 g/mol
SMILES N1[C@]([C@]([C@@]([C@]1(c1ccccc1)[H])(N(=O)=O)[H])(C(F)(F)F)[H])(C(=O)OC)[H]
SPLASH splash10-02t9-1590000000-97dd0b8cb558e9d7a5e8
Source of Spectrum F4-44-269-3a
Wiley ID 1706817