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(2S)-Methyl 1-(1-phenyl-2-(2-cyanophenyl)ethyl)pyrrolidine-2-carboxylate
SpectraBase Compound ID qsRnzg7tOb
InChI InChI=1S/C21H22N2O2/c1-25-21(24)19-12-7-13-23(19)20(16-8-3-2-4-9-16)14-17-10-5-6-11-18(17)15-22/h2-6,8-11,19-20H,7,12-14H2,1H3/t19-,20?/m0/s1
InChIKey UHZJHFFLAKBPMI-XJDOXCRVSA-N
Mol Weight 334.42 g/mol
Molecular Formula C21H22N2O2
Exact Mass 334.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FCAbNqhUOH6
Name (2S)-Methyl 1-(1-phenyl-2-(2-cyanophenyl)ethyl)pyrrolidine-2-carboxylate
Comments Removed - expert review: column bleed; A corrected record has been addded having SpectrumID: 1718210
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Formula C21H22N2O2
InChI InChI=1S/C21H22N2O2/c1-25-21(24)19-12-7-13-23(19)20(16-8-3-2-4-9-16)14-17-10-5-6-11-18(17)15-22/h2-6,8-11,19-20H,7,12-14H2,1H3/t19-,20?/m0/s1
InChIKey UHZJHFFLAKBPMI-XJDOXCRVSA-N
Molecular Weight 334.419 g/mol
SMILES C(N1[C@](C(=O)OC)(CCC1)[H])(Cc1c(C#N)cccc1)c1ccccc1
SPLASH splash10-066r-0290000000-86cc2cdc186d1c7403f0
Source of Spectrum F-66-9908-2c
Wiley ID 1685214