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(R,R,R)-8-(4-Nitrobenzyl)-2,7-dioxabicyclo[3.2.1]octane
SpectraBase Compound ID JRUHsYSDMac
InChI InChI=1S/C13H15NO4/c15-14(16)11-3-1-9(2-4-11)7-12-10-5-6-17-13(12)18-8-10/h1-4,10,12-13H,5-8H2/t10-,12+,13+/m0/s1
InChIKey DYSHIFSKGVYKIM-CYZMBNFOSA-N
Mol Weight 249.27 g/mol
Molecular Formula C13H15NO4
Exact Mass 249.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID k7MT8k8YFI
Name (R,R,R)-8-(4-Nitrobenzyl)-2,7-dioxabicyclo[3.2.1]octane
Alternate Name(s) (1R,5R,8R)-8-(4-nitrobenzyl)-2,7-dioxabicyclo[3.2.1]octane (1R,5R,8R)-8-[(4-nitrophenyl)methyl]-4,6-dioxabicyclo[3.2.1]octane
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Formula C13H15NO4
InChI InChI=1S/C13H15NO4/c15-14(16)11-3-1-9(2-4-11)7-12-10-5-6-17-13(12)18-8-10/h1-4,10,12-13H,5-8H2/t10-,12+,13+/m0/s1
InChIKey DYSHIFSKGVYKIM-CYZMBNFOSA-N
Literature Reference DOI 10.1002/adsc.200900494
Molecular Weight 249.266 g/mol
SMILES [C@@]12(OCC[C@](CO2)([H])[C@]1(Cc1ccc(cc1)[N+](=O)[O-])[H])[H]
SPLASH splash10-00or-8900000000-2868acff9f8e428d2b83
Source of Spectrum ASC-351-2934-4g
Wiley ID 1763515