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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZZNrLKj9N0
Name t-Butyl (3S,4R,5S)-3-Acetamido-4,5-(cyclohexylidenedioxy)-hexanote
Alternate Name(s) t-Butyl (3S,4S,5S)-3-acetamindo-4,5-(cyclohexylidenedioxy)-hexanoate tert-Butyl (3S)-3-(acetylamino)-3-[(2R,3S)-3-methyl-1,4-dioxaspiro[4.5]dec-2-yl]propanoate
CAS Registry Number 90819-78-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 N([C@]([C@]1(OC2(CCCCC2)O[C@]1(C)[H])[H])(CC(OC(C)(C)C)=O)[H])C(=O)C
SPLASH splash10-052f-7940000000-59460745a818413b738f
Source of Spectrum AJ-60-2136-23
Wiley ID 1335882