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1-[N-(9-Fluorenylmethyloxycarbonyl)-(1S,2R)-1-amino-2-methyl3,3,3-D3-2-hydroxypropyl]-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane

View entire compound with spectra: 1 MS (GC)

1-[N-(9-Fluorenylmethyloxycarbonyl)-(1S,2R)-1-amino-2-methyl3,3,3-D3-2-hydroxypropyl]-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
SpectraBase Compound ID IsfQtjQWUd
InChI InChI=1S/C25H29NO6/c1-23(2,28)21(25-30-13-24(3,14-31-25)15-32-25)26-22(27)29-12-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20-21,28H,12-15H2,1-3H3,(H,26,27)/t21-,24?,25?/m0/s1/i1D3/t21-,23+,24?,25?
InChIKey VXUNUPNYJPLKMX-AWHXAMJQSA-N
Mol Weight 442.53 g/mol
Molecular Formula C25H262D3NO6
Exact Mass 442.218318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JP0qQAl2APT
Name 1-[N-(9-Fluorenylmethyloxycarbonyl)-(1S,2R)-1-amino-2-methyl3,3,3-D3-2-hydroxypropyl]-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
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Formula C25H26D3NO6
InChI InChI=1S/C25H29NO6/c1-23(2,28)21(25-30-13-24(3,14-31-25)15-32-25)26-22(27)29-12-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20-21,28H,12-15H2,1-3H3,(H,26,27)/t21-,24?,25?/m0/s1/i1D3/t21-,23+,24?,25?
InChIKey VXUNUPNYJPLKMX-AWHXAMJQSA-N
Molecular Weight 442.526 g/mol
SMILES N([C@@]([C@@](O)(C([2D])([2D])[2D])C)(C12OCC(CO2)(C)CO1)[H])C(OCC1c2c(cccc2)-c2c1cccc2)=O
SPLASH splash10-001i-0009200000-3a1098ab4e32a6b65e08
Source of Spectrum J-63-3644-35
Wiley ID 1384440