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1,2-Pyrrolidinedicarboxylic acid, 4-(carboxymethyl)-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S-cis)-
SpectraBase Compound ID 69POFqa9lay
InChI InChI=1S/C13H21NO6/c1-13(2,3)20-12(18)14-7-8(6-10(15)16)5-9(14)11(17)19-4/h8-9H,5-7H2,1-4H3,(H,15,16)/t8-,9+/m1/s1
InChIKey HJPMYHJAWNMUMA-BDAKNGLRSA-N
Mol Weight 287.31 g/mol
Molecular Formula C13H21NO6
Exact Mass 287.136887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FIMHmjU1xTB
Name 1,2-Pyrrolidinedicarboxylic acid, 4-(carboxymethyl)-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S-cis)-
Comments Computed using HOSE algorithm
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Exact Mass 287.136887394 u
Formula C13H21NO6
InChI InChI=1S/C13H21NO6/c1-13(2,3)20-12(18)14-7-8(6-10(15)16)5-9(14)11(17)19-4/h8-9H,5-7H2,1-4H3,(H,15,16)/t8-,9+/m1/s1
InChIKey HJPMYHJAWNMUMA-BDAKNGLRSA-N
SMILES C(N1[C@](C(=O)OC)(C[C@@](C1)(CC(=O)O)[H])[H])(OC(C)(C)C)=O