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3-Pyrrolidinecarboxylic acid, 5-[[(1,1-dimethylethyl)amino]carbonyl]-2-phenyl-, methyl ester, (2.alpha.,3.alpha.,5.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

3-Pyrrolidinecarboxylic acid, 5-[[(1,1-dimethylethyl)amino]carbonyl]-2-phenyl-, methyl ester, (2.alpha.,3.alpha.,5.alpha.)-(.+-.)-
SpectraBase Compound ID CVe4ZaNCWF0
InChI InChI=1S/C17H24N2O3/c1-17(2,3)19-15(20)13-10-12(16(21)22-4)14(18-13)11-8-6-5-7-9-11/h5-9,12-14,18H,10H2,1-4H3,(H,19,20)/t12-,13-,14-/m0/s1
InChIKey AREZSODGKRQJBW-IHRRRGAJSA-N
Mol Weight 304.39 g/mol
Molecular Formula C17H24N2O3
Exact Mass 304.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KU2um9RmFm7
Name 3-Pyrrolidinecarboxylic acid, 5-[[(1,1-dimethylethyl)amino]carbonyl]-2-phenyl-, methyl ester, (2.alpha.,3.alpha.,5.alpha.)-(.+-.)-
Alternate Name(s) 2-(t-butylcarbamoyl)-4-methoxycarbonyl-5-phenyl-2,3,4,5-tetrahydropyrrole Methyl (2R,3S,5S)-5-[(tert-butylamino)carbonyl]-2-phenyl-3-pyrrolidinecarboxylate
CAS Registry Number 113273-85-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24N2O3
InChI InChI=1S/C17H24N2O3/c1-17(2,3)19-15(20)13-10-12(16(21)22-4)14(18-13)11-8-6-5-7-9-11/h5-9,12-14,18H,10H2,1-4H3,(H,19,20)/t12-,13-,14-/m0/s1
InChIKey AREZSODGKRQJBW-IHRRRGAJSA-N
Molecular Weight 304.390 g/mol
SMILES N1[C@](C(NC(C)(C)C)=O)(C[C@@]([C@@]1(c1ccccc1)[H])(C(=O)OC)[H])[H]
SPLASH splash10-0udl-3590000000-5b52479515be1a8c3445
Source of Spectrum J-53-1390-6
Wiley ID 1306497