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(3R,4S,1'S)-4-Methoxycarbonyl-1-(1'-phenylethyl)-3-(trichloroacetylamino)pyrrolidin-2-one
SpectraBase Compound ID F0Fzcoz8ZQM
InChI InChI=1S/C16H17Cl3N2O4/c1-9(10-6-4-3-5-7-10)21-8-11(14(23)25-2)12(13(21)22)20-15(24)16(17,18)19/h3-7,9,11-12H,8H2,1-2H3,(H,20,24)/t9-,11-,12+/m0/s1
InChIKey DWTBSYARGKIRJP-ZMLRMANQSA-N
Mol Weight 407.68 g/mol
Molecular Formula C16H17Cl3N2O4
Exact Mass 406.02539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTL1K3loWpO
Name (3R,4S,1'S)-4-Methoxycarbonyl-1-(1'-phenylethyl)-3-(trichloroacetylamino)pyrrolidin-2-one
Alternate Name(s) Methyl (3S,4R)-5-oxo-1-[(1S)-1-phenylethyl]-4-[(trichloroacetyl)amino]-3-pyrrolidinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17Cl3N2O4
InChI InChI=1S/C16H17Cl3N2O4/c1-9(10-6-4-3-5-7-10)21-8-11(14(23)25-2)12(13(21)22)20-15(24)16(17,18)19/h3-7,9,11-12H,8H2,1-2H3,(H,20,24)/t9-,11-,12+/m0/s1
InChIKey DWTBSYARGKIRJP-ZMLRMANQSA-N
Molecular Weight 407.681 g/mol
SMILES N([C@]1(C(N(C[C@@]1(C(=O)OC)[H])[C@](c1ccccc1)(C)[H])=O)[H])C(C(Cl)(Cl)Cl)=O
SPLASH splash10-0a4i-1910000000-a753666ea1a66665e4e9
Source of Spectrum KC-61-5469-12
Wiley ID 1629435