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Tert-butyl (S)-2-((S)-2-(benzyl(methyl)carbamoyl)pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
SpectraBase Compound ID GSFCQvQLxuv
InChI InChI=1S/C23H33N3O4/c1-23(2,3)30-22(29)26-15-9-13-19(26)21(28)25-14-8-12-18(25)20(27)24(4)16-17-10-6-5-7-11-17/h5-7,10-11,18-19H,8-9,12-16H2,1-4H3/t18-,19-/m0/s1
InChIKey XJTAUKQHUAVDLJ-OALUTQOASA-N
Mol Weight 415.5 g/mol
Molecular Formula C23H33N3O4
Exact Mass 415.247107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E19yxrYa5Gy
Name Tert-butyl (S)-2-((S)-2-(benzyl(methyl)carbamoyl)pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 415.247106551 u
Formula C23H33N3O4
InChI InChI=1S/C23H33N3O4/c1-23(2,3)30-22(29)26-15-9-13-19(26)21(28)25-14-8-12-18(25)20(27)24(4)16-17-10-6-5-7-11-17/h5-7,10-11,18-19H,8-9,12-16H2,1-4H3/t18-,19-/m0/s1
InChIKey XJTAUKQHUAVDLJ-OALUTQOASA-N
Molecular Weight 415.534 g/mol
SMILES [C@]1(N(CCC1)C(=O)OC(C)(C)C)(C(=O)N1[C@@](CCC1)(C(N(C)CC1=CC=CC=C1)=O)[H])[H]