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T-Butyl (3S,4R,5S)-3-acetamido-4,5-(cyclohexylidenedioxy)-hexanote

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T-Butyl (3S,4R,5S)-3-acetamido-4,5-(cyclohexylidenedioxy)-hexanote
SpectraBase Compound ID ssU1PsOCZI
InChI InChI=1S/C18H31NO5/c1-12-16(24-18(22-12)9-7-6-8-10-18)14(19-13(2)20)11-15(21)23-17(3,4)5/h12,14,16H,6-11H2,1-5H3,(H,19,20)/t12-,14-,16-/m0/s1
InChIKey JTQWLPVUDMZXKJ-NOLJZWGESA-N
Mol Weight 341.45 g/mol
Molecular Formula C18H31NO5
Exact Mass 341.220223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GEVcunQu2Jo
Name T-Butyl (3S,4R,5S)-3-acetamido-4,5-(cyclohexylidenedioxy)-hexanote
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.220223097 u
Formula C18H31NO5
InChI InChI=1S/C18H31NO5/c1-12-16(24-18(22-12)9-7-6-8-10-18)14(19-13(2)20)11-15(21)23-17(3,4)5/h12,14,16H,6-11H2,1-5H3,(H,19,20)/t12-,14-,16-/m0/s1
InChIKey JTQWLPVUDMZXKJ-NOLJZWGESA-N
Molecular Weight 341.448 g/mol
SMILES [C@@]1([C@](CC(OC(C)(C)C)=O)(NC(=O)C)[H])(OC2(CCCCC2)O[C@]1(C)[H])[H]