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N-(Benzyloxycarbonyl)-epsilon-(tert.-butoxycarbonyl)-ornithine
SpectraBase Compound ID J3yKqln9udx
InChI InChI=1S/C18H26N2O6/c1-18(2,3)26-16(23)19-11-7-10-14(15(21)22)20-17(24)25-12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,19,23)(H,20,24)(H,21,22)/t14-/m0/s1
InChIKey RWQCKACYKKSOKK-AWEZNQCLSA-N
Mol Weight 366.41 g/mol
Molecular Formula C18H26N2O6
Exact Mass 366.179087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ADBMdeBit9f
Name N-(Benzyloxycarbonyl)-epsilon-(tert.-butoxycarbonyl)-ornithine
Comments Computed using HOSE algorithm
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Exact Mass 366.179086559 u
Formula C18H26N2O6
InChI InChI=1S/C18H26N2O6/c1-18(2,3)26-16(23)19-11-7-10-14(15(21)22)20-17(24)25-12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,19,23)(H,20,24)(H,21,22)/t14-/m0/s1
InChIKey RWQCKACYKKSOKK-AWEZNQCLSA-N
Molecular Weight 366.414 g/mol
SMILES C(N[C@](C(=O)O)(CCCNC(OC(C)(C)C)=O)[H])(=O)OCC=1C=CC=CC1