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7-Oxabicyclo[2.2.1]heptan-2-one, 5-hydroxy-6-methoxy-, (5-exo,6-endo)-(.+-.)-
SpectraBase Compound ID 4AxlMAekG2C
InChI InChI=1S/C7H10O4/c1-10-7-5(9)4-2-3(8)6(7)11-4/h4-7,9H,2H2,1H3/t4-,5-,6+,7+/m1/s1
InChIKey AEGVOIMUWCYFNO-JWXFUTCRSA-N
Mol Weight 158.15 g/mol
Molecular Formula C7H10O4
Exact Mass 158.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnpHiy35Zo2
Name 7-Oxabicyclo[2.2.1]heptan-2-one, 5-hydroxy-6-methoxy-, (5-exo,6-endo)-(.+-.)-
CAS Registry Number 115140-19-7
Comments Less than 3 mono-isotopic peaks
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Formula C7H10O4
InChI InChI=1S/C7H10O4/c1-10-7-5(9)4-2-3(8)6(7)11-4/h4-7,9H,2H2,1H3/t4-,5-,6+,7+/m1/s1
InChIKey AEGVOIMUWCYFNO-JWXFUTCRSA-N
Molecular Weight 158.153 g/mol
SMILES O[C@]1([C@@]([C@]2(O[C@@]1(CC2=O)[H])[H])(OC)[H])[H]
SPLASH splash10-000i-9100000000-b31df035a01bb3078858
Source of Spectrum H-70-1716-27
Synonyms (1RS,4RS,5RS,6SR)-5-exo-hydroxy-6-endo-methoxy-7-oxabicyclo[2.2.1]heptan-2-one 5-hydroxy-6-methoxy-7-oxabicyclo[2.2.1]heptan-2-one
Wiley ID 1155025