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(1R,3S,4S)-5,5,7,7-Tetramethyl-N-((S)-1-phenylethyl)-2,6-dioxabicyclo[2.2.2]octane-3-carboxamide
SpectraBase Compound ID 9KcJ424VEw8
InChI InChI=1S/C19H27NO3/c1-12(13-9-7-6-8-10-13)20-16(21)15-14-11-18(2,3)17(22-15)23-19(14,4)5/h6-10,12,14-15,17H,11H2,1-5H3,(H,20,21)/t12-,14+,15-,17+/m0/s1
InChIKey KPMVWOLYNWLCNI-PWXKEOIMSA-N
Mol Weight 317.43 g/mol
Molecular Formula C19H27NO3
Exact Mass 317.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9VEEspZ8POq
Name (1R,3S,4S)-5,5,7,7-Tetramethyl-N-((S)-1-phenylethyl)-2,6-dioxabicyclo[2.2.2]octane-3-carboxamide
Appearance White solid
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Exact Mass 317.199093730 u
Formula C19H27NO3
GC Column HP-5 MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C19H27NO3/c1-12(13-9-7-6-8-10-13)20-16(21)15-14-11-18(2,3)17(22-15)23-19(14,4)5/h6-10,12,14-15,17H,11H2,1-5H3,(H,20,21)/t12-,14+,15-,17+/m0/s1
InChIKey KPMVWOLYNWLCNI-PWXKEOIMSA-N
Instrument Name Agilent 6890 N-5975
Ionization Type EI
Literature Reference DOI 10.1002/chem.201600847
Molecular Weight 317.429 g/mol
Quality 181
Reported Formula C19H27NO3
SMILES N(C([C@@]1([C@@]2(C(O[C@](O1)([H])C(C2)(C)C)(C)C)[H])[H])=O)[C@](C1=CC=CC=C1)(C)[H]
SPLASH splash10-0a4i-2931000000-6bca1b24dfff3a01a92c
Source of Spectrum QE-22-SM22-8b' (DOI: 10.1002/chem.201600847)
Wiley ID 1903195