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1-[N-(9-Fluorenylmethyloxycarbonyl)-(1S)-1-amino-2-methyl-2-oxopropyl]-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
SpectraBase Compound ID DzLlzhcZtiP
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
InChIKey VXUNUPNYJPLKMX-ANYOXOOPSA-N
Mol Weight 439.51 g/mol
Molecular Formula C25H29NO6
Exact Mass 439.199488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BQOciGqDYGo
Name 1-[N-(9-Fluorenylmethyloxycarbonyl)-(1S)-1-amino-2-methyl-2-oxopropyl]-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
Alternate Name(s) [(S)-2-Hydroxy-2-methyl-1-(4-methyl-2,6,7-trioxa-bicyclo[2.2.2]oct-1-yl)-propyl]-carbamic acid 9H-fluoren-9-ylmethyl ester 9H-fluoren-9-ylmethyl N-[(1S)-2-hydroxy-2-methyl-1-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)propyl]carbamate 9H-fluoren-9-ylmethyl N-[(1S)-2-methyl-1-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)-2-oxidanyl-propyl]carbamate
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Formula C25H29NO6
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
InChIKey VXUNUPNYJPLKMX-ANYOXOOPSA-N
Molecular Weight 439.508 g/mol
SMILES N([C@@](C(O)(C)C)(C12OCC(CO2)(C)CO1)[H])C(OCC1c2c(cccc2)-c2c1cccc2)=O
SPLASH splash10-001i-0009200000-97a9c8f6b0967e7e298b
Source of Spectrum J-63-3644-34
Wiley ID 1384437