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[5'-(Benzyloxymethyl)-2',2'-dimethyl-1',3'-dioxolan-4'-yl]methyl] amine
SpectraBase Compound ID DdAwnKeQWNl
InChI InChI=1S/C14H21NO3/c1-14(2)17-12(8-15)13(18-14)10-16-9-11-6-4-3-5-7-11/h3-7,12-13H,8-10,15H2,1-2H3/t12-,13-/m0/s1
InChIKey GQVCIVAPKZRFBW-STQMWFEESA-N
Mol Weight 251.33 g/mol
Molecular Formula C14H21NO3
Exact Mass 251.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KvBBK9zosPw
Name [5'-(Benzyloxymethyl)-2',2'-dimethyl-1',3'-dioxolan-4'-yl]methyl] amine
Comments Computed using HOSE algorithm
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Exact Mass 251.152143537 u
Formula C14H21NO3
InChI InChI=1S/C14H21NO3/c1-14(2)17-12(8-15)13(18-14)10-16-9-11-6-4-3-5-7-11/h3-7,12-13H,8-10,15H2,1-2H3/t12-,13-/m0/s1
InChIKey GQVCIVAPKZRFBW-STQMWFEESA-N
Molecular Weight 251.326 g/mol
SMILES C1(O[C@@](CN)([C@@](O1)(COCC1=CC=CC=C1)[H])[H])(C)C