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4-[4-(2,5-Dioxo-pyrrolidin-1-yloxycarbonyl)-butyryl]-piperazine-1-carboxylic acid tert-butyl ester
SpectraBase Compound ID 84LjkUYEKw0
InChI InChI=1S/C18H27N3O7/c1-18(2,3)27-17(26)20-11-9-19(10-12-20)13(22)5-4-6-16(25)28-21-14(23)7-8-15(21)24/h4-12H2,1-3H3
InChIKey UXZXAWMLRBGQRJ-UHFFFAOYSA-N
Mol Weight 397.43 g/mol
Molecular Formula C18H27N3O7
Exact Mass 397.1849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G2vR0C8qxsv
Name 4-[4-(2,5-Dioxo-pyrrolidin-1-yloxycarbonyl)-butyryl]-piperazine-1-carboxylic acid tert-butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 397.184900214 u
Formula C18H27N3O7
InChI InChI=1S/C18H27N3O7/c1-18(2,3)27-17(26)20-11-9-19(10-12-20)13(22)5-4-6-16(25)28-21-14(23)7-8-15(21)24/h4-12H2,1-3H3
InChIKey UXZXAWMLRBGQRJ-UHFFFAOYSA-N
Molecular Weight 397.428 g/mol
SMILES C1(N(C(CC1)=O)OC(=O)CCCC(N1CCN(C(=O)OC(C)(C)C)CC1)=O)=O