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(3S,4R,1'S)-4-Methoxycarbonyl-3-(trichloroacetylamino)-1-[1'-(4"-methoxyphenyl)ethyl]pyrrolidin-2-one
SpectraBase Compound ID 4YoNRikUS3R
InChI InChI=1S/C17H19Cl3N2O5/c1-9(10-4-6-11(26-2)7-5-10)22-8-12(15(24)27-3)13(14(22)23)21-16(25)17(18,19)20/h4-7,9,12-13H,8H2,1-3H3,(H,21,25)/t9-,12+,13-/m0/s1
InChIKey POBZCURACYQAHK-BIMULSAOSA-N
Mol Weight 437.71 g/mol
Molecular Formula C17H19Cl3N2O5
Exact Mass 436.035955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANcDnms10RT
Name (3S,4R,1'S)-4-Methoxycarbonyl-3-(trichloroacetylamino)-1-[1'-(4"-methoxyphenyl)ethyl]pyrrolidin-2-one
Alternate Name(s) Methyl (3R,4S)-1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxo-4-[(trichloroacetyl)amino]-3-pyrrolidinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19Cl3N2O5
InChI InChI=1S/C17H19Cl3N2O5/c1-9(10-4-6-11(26-2)7-5-10)22-8-12(15(24)27-3)13(14(22)23)21-16(25)17(18,19)20/h4-7,9,12-13H,8H2,1-3H3,(H,21,25)/t9-,12+,13-/m0/s1
InChIKey POBZCURACYQAHK-BIMULSAOSA-N
Molecular Weight 437.707 g/mol
SMILES N([C@@]1(C(N(C[C@]1(C(=O)OC)[H])[C@](c1ccc(cc1)OC)(C)[H])=O)[H])C(C(Cl)(Cl)Cl)=O
SPLASH splash10-000i-0910000000-8b8469d5b0204b5c972d
Source of Spectrum KC-61-5469-11
Wiley ID 1629434