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4-(2-Carboxy-cyclohexanecarbonyl)-piperazine-1-carboxylic acid tert-butyl ester

View entire compound with spectra: 1 NMR

4-(2-Carboxy-cyclohexanecarbonyl)-piperazine-1-carboxylic acid tert-butyl ester
SpectraBase Compound ID 1fQKCzlbaQQ
InChI InChI=1S/C17H28N2O5/c1-17(2,3)24-16(23)19-10-8-18(9-11-19)14(20)12-6-4-5-7-13(12)15(21)22/h12-13H,4-11H2,1-3H3,(H,21,22)
InChIKey NNHFPYZTJPUYMN-UHFFFAOYSA-N
Mol Weight 340.42 g/mol
Molecular Formula C17H28N2O5
Exact Mass 340.199822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ax6xpHRlJtc
Name 4-(2-Carboxy-cyclohexanecarbonyl)-piperazine-1-carboxylic acid tert-butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 340.199822005 u
Formula C17H28N2O5
InChI InChI=1S/C17H28N2O5/c1-17(2,3)24-16(23)19-10-8-18(9-11-19)14(20)12-6-4-5-7-13(12)15(21)22/h12-13H,4-11H2,1-3H3,(H,21,22)
InChIKey NNHFPYZTJPUYMN-UHFFFAOYSA-N
Molecular Weight 340.420 g/mol
SMILES C(N1CCN(C(OC(C)(C)C)=O)CC1)(C1C(C(=O)O)CCCC1)=O