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7-Oxabicyclo[2.2.1]heptane-2-carbonitrile, 2-(acetyloxy)-5,6-dihydroxy-, [1R-(exo,exo,exo)]-
SpectraBase Compound ID IV3MxJSNhVm
InChI InChI=1S/C9H11NO5/c1-4(11)15-9(3-10)2-5-6(12)7(13)8(9)14-5/h5-8,12-13H,2H2,1H3/t5-,6-,7-,8-,9-/m1/s1
InChIKey NCRHRVMKPRDSKV-JGKVKWKGSA-N
Mol Weight 213.19 g/mol
Molecular Formula C9H11NO5
Exact Mass 213.063722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1rL0ltBDP6
Name 7-Oxabicyclo[2.2.1]heptane-2-carbonitrile, 2-(acetyloxy)-5,6-dihydroxy-, [1R-(exo,exo,exo)]-
CAS Registry Number 123155-30-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO5
InChI InChI=1S/C9H11NO5/c1-4(11)15-9(3-10)2-5-6(12)7(13)8(9)14-5/h5-8,12-13H,2H2,1H3/t5-,6-,7-,8-,9-/m1/s1
InChIKey NCRHRVMKPRDSKV-JGKVKWKGSA-N
Molecular Weight 213.189 g/mol
SMILES O[C@@]1([C@]2(C[C@]([C@@]([C@@]1(O)[H])(O2)[H])(C#N)OC(=O)C)[H])[H]
SPLASH splash10-0229-5900000000-321e1c6ed35affd1a72a
Source of Spectrum H-72-341-0
Synonyms (-)-(1R,2R,4R,5S,6R)-2-endo-cyano-5-exo,6-exo-dihydroxy-7-oxabicyclo[2.2.1]hept-2-exo-yl acetate (1R,2R,4S,5S,6R)-2-cyano-5,6-dihydroxy-7-oxabicyclo[2.2.1]hept-2-yl acetate
Wiley ID 1212378