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Methyl 2,3-trans-2-phenyl-5-cyanopyrrolidin-3-carboxylate
SpectraBase Compound ID CE6hrLVx7CP
InChI InChI=1S/C13H14N2O2/c1-17-13(16)11-7-10(8-14)15-12(11)9-5-3-2-4-6-9/h2-6,10-12,15H,7H2,1H3/t10?,11-,12+/m0/s1
InChIKey BPJHDJFXSHJGAT-GLXQMMQGSA-N
Mol Weight 230.27 g/mol
Molecular Formula C13H14N2O2
Exact Mass 230.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aa4iFptgdMb
Name Methyl 2,3-trans-2-phenyl-5-cyanopyrrolidin-3-carboxylate
Alternate Name(s) Methyl (2S,3S)-5-cyano-2-phenyl-3-pyrrolidinecarboxylate
CAS Registry Number 102845-59-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O2
InChI InChI=1S/C13H14N2O2/c1-17-13(16)11-7-10(8-14)15-12(11)9-5-3-2-4-6-9/h2-6,10-12,15H,7H2,1H3/t10?,11-,12+/m0/s1
InChIKey BPJHDJFXSHJGAT-GLXQMMQGSA-N
Molecular Weight 230.267 g/mol
SMILES N1C(C[C@@]([C@]1(c1ccccc1)[H])(C(=O)OC)[H])C#N
SPLASH splash10-014l-1910000000-f3e4ba9f33105c9ce957
Source of Spectrum AJ-59-1822-55
Wiley ID 1231841