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(2S,5S)-5-cyanopyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester
SpectraBase Compound ID A68rniIBkJA
InChI InChI=1S/C12H18N2O4/c1-12(2,3)18-11(16)14-8(7-13)5-6-9(14)10(15)17-4/h8-9H,5-6H2,1-4H3/t8-,9-/m0/s1
InChIKey KVJVGSUDWMVQKW-IUCAKERBSA-N
Mol Weight 254.29 g/mol
Molecular Formula C12H18N2O4
Exact Mass 254.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3KZNAb5lnNi
Name (2S,5S)-5-cyanopyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester
Alternate Name(s) 1-O-tert-butyl 2-O-methyl (2S,5S)-5-cyanopyrrolidine-1,2-dicarboxylate O1-tert-butyl O2-methyl (2S,5S)-5-cyanopyrrolidine-1,2-dicarboxylate
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Formula C12H18N2O4
InChI InChI=1S/C12H18N2O4/c1-12(2,3)18-11(16)14-8(7-13)5-6-9(14)10(15)17-4/h8-9H,5-6H2,1-4H3/t8-,9-/m0/s1
InChIKey KVJVGSUDWMVQKW-IUCAKERBSA-N
Molecular Weight 254.286 g/mol
SMILES C(N1[C@](C(=O)OC)(CC[C@]1(C#N)[H])[H])(OC(C)(C)C)=O
SPLASH splash10-0002-9200000000-ca4341825fe8f43cb4c2
Source of Spectrum C5-2003-2305-6
Wiley ID 1616099