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(3S,4R,1'S)-3-Amino-4-hydroxymethyl-1-(1'-phenylethyl)pyrrolidin-2-one
SpectraBase Compound ID CRef5PX3eyg
InChI InChI=1S/C13H18N2O2/c1-9(10-5-3-2-4-6-10)15-7-11(8-16)12(14)13(15)17/h2-6,9,11-12,16H,7-8,14H2,1H3/t9-,11-,12-/m0/s1
InChIKey RYROIKUDZOEOHA-DLOVCJGASA-N
Mol Weight 234.3 g/mol
Molecular Formula C13H18N2O2
Exact Mass 234.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JUKh5uQJeZC
Name (3S,4R,1'S)-3-Amino-4-hydroxymethyl-1-(1'-phenylethyl)pyrrolidin-2-one
Alternate Name(s) (3S,4R)-3-amino-4-(hydroxymethyl)-1-[(1S)-1-phenylethyl]-2-pyrrolidinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N2O2
InChI InChI=1S/C13H18N2O2/c1-9(10-5-3-2-4-6-10)15-7-11(8-16)12(14)13(15)17/h2-6,9,11-12,16H,7-8,14H2,1H3/t9-,11-,12-/m0/s1
InChIKey RYROIKUDZOEOHA-DLOVCJGASA-N
Molecular Weight 234.299 g/mol
SMILES N[C@@]1(C(N(C[C@]1(CO)[H])[C@](c1ccccc1)(C)[H])=O)[H]
SPLASH splash10-00di-9100000000-ffe6191d2d63526698ba
Source of Spectrum KC-61-5469-13
Wiley ID 1629430