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2,4-Pyrrolidinedicarboxylic acid, 5-(1,1-dimethylethyl)-3-methyl-, dimethyl ester, (2.alpha.,3.beta.,4.alpha.,5.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

2,4-Pyrrolidinedicarboxylic acid, 5-(1,1-dimethylethyl)-3-methyl-, dimethyl ester, (2.alpha.,3.beta.,4.alpha.,5.alpha.)-(.+-.)-
SpectraBase Compound ID 5dNdJR0q3jL
InChI InChI=1S/C13H23NO4/c1-7-8(11(15)17-5)10(13(2,3)4)14-9(7)12(16)18-6/h7-10,14H,1-6H3/t7-,8-,9-,10+/m0/s1
InChIKey BDDXPFYELDQRDI-AATLWQCWSA-N
Mol Weight 257.33 g/mol
Molecular Formula C13H23NO4
Exact Mass 257.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5fW9z1g8bD7
Name 2,4-Pyrrolidinedicarboxylic acid, 5-(1,1-dimethylethyl)-3-methyl-, dimethyl ester, (2.alpha.,3.beta.,4.alpha.,5.alpha.)-(.+-.)-
CAS Registry Number 127687-32-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H23NO4
InChI InChI=1S/C13H23NO4/c1-7-8(11(15)17-5)10(13(2,3)4)14-9(7)12(16)18-6/h7-10,14H,1-6H3/t7-,8-,9-,10+/m0/s1
InChIKey BDDXPFYELDQRDI-AATLWQCWSA-N
Molecular Weight 257.330 g/mol
SMILES N1[C@@]([C@]([C@@]([C@@]1(C(C)(C)C)[H])(C(=O)OC)[H])(C)[H])(C(=O)OC)[H]
SPLASH splash10-0udi-0090000000-ce446e073aef81e4c198
Source of Spectrum J-55-4415-5
Synonyms 3-Methyl-5-tert-butyl-1-azacyclopentane-2,4-dicarboxylic acid methyl ester dimethyl (2S,3S,4S,5R)-5-tert-butyl-3-methyl-2,4-pyrrolidinedicarboxylate
Wiley ID 1260720