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(S)-o-(Tert-buthyl)-N-(3-iodobutyl)-N-(tert-butoxycarbonyl)serine ethyl ester
SpectraBase Compound ID 2FGrIhUfJpy
InChI InChI=1S/C18H34INO5/c1-8-23-15(21)14(13-24-17(2,3)4)20(12-10-9-11-19)16(22)25-18(5,6)7/h14H,8-13H2,1-7H3/t14-/m0/s1
InChIKey YDAAUYVJXAZZRC-AWEZNQCLSA-N
Mol Weight 471.4 g/mol
Molecular Formula C18H34INO5
Exact Mass 471.148168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dzlt9dwSmST
Name (S)-o-(Tert-buthyl)-N-(3-iodobutyl)-N-(tert-butoxycarbonyl)serine ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 471.148168194 u
Formula C18H34INO5
InChI InChI=1S/C18H34INO5/c1-8-23-15(21)14(13-24-17(2,3)4)20(12-10-9-11-19)16(22)25-18(5,6)7/h14H,8-13H2,1-7H3/t14-/m0/s1
InChIKey YDAAUYVJXAZZRC-AWEZNQCLSA-N
Molecular Weight 471.376 g/mol
SMILES [C@](N(CCCCI)C(OC(C)(C)C)=O)(C(=O)OCC)(COC(C)(C)C)[H]