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1-Benzyl-trans-4-(carbomethoxy)-5-(3-pyridyl)-2-pyrrolidinone
SpectraBase Compound ID IEjdr5qDxX8
InChI InChI=1S/C18H18N2O3/c1-23-18(22)15-10-16(21)20(12-13-6-3-2-4-7-13)17(15)14-8-5-9-19-11-14/h2-9,11,15,17H,10,12H2,1H3/t15-,17+/m0/s1
InChIKey CESSKWMWWPTSHR-DOTOQJQBSA-N
Mol Weight 310.35 g/mol
Molecular Formula C18H18N2O3
Exact Mass 310.131742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BoZ3mqVcdCT
Name 1-Benzyl-trans-4-(carbomethoxy)-5-(3-pyridyl)-2-pyrrolidinone
Alternate Name(s) Methyl (2S,3S)-1-benzyl-5-oxo-2-(3-pyridinyl)-3-pyrrolidinecarboxylate
CAS Registry Number 71718-90-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N2O3
InChI InChI=1S/C18H18N2O3/c1-23-18(22)15-10-16(21)20(12-13-6-3-2-4-7-13)17(15)14-8-5-9-19-11-14/h2-9,11,15,17H,10,12H2,1H3/t15-,17+/m0/s1
InChIKey CESSKWMWWPTSHR-DOTOQJQBSA-N
Molecular Weight 310.353 g/mol
SMILES C1(N([C@@]([C@](C1)(C(=O)OC)[H])(c1cnccc1)[H])Cc1ccccc1)=O
SPLASH splash10-014i-0092000000-7ac09c43c736bb05976f
Source of Spectrum J-44-4334-0
Wiley ID 1311605