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7-Oxabicyclo[2.2.1]heptan-2-one, 5-(acetyloxy)-6-methoxy-, (5-exo,6-endo)-(.+-.)-
SpectraBase Compound ID 3tIXY0gvW0O
InChI InChI=1S/C9H12O5/c1-4(10)13-8-6-3-5(11)7(14-6)9(8)12-2/h6-9H,3H2,1-2H3/t6-,7+,8-,9-/m0/s1
InChIKey KLBOWWKHQRNYKN-KZVJFYERSA-N
Mol Weight 200.19 g/mol
Molecular Formula C9H12O5
Exact Mass 200.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GvNbIaKbvHB
Name 7-Oxabicyclo[2.2.1]heptan-2-one, 5-(acetyloxy)-6-methoxy-, (5-exo,6-endo)-(.+-.)-
CAS Registry Number 115185-26-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O5
InChI InChI=1S/C9H12O5/c1-4(10)13-8-6-3-5(11)7(14-6)9(8)12-2/h6-9H,3H2,1-2H3/t6-,7+,8-,9-/m0/s1
InChIKey KLBOWWKHQRNYKN-KZVJFYERSA-N
Molecular Weight 200.190 g/mol
SMILES [C@@]12(O[C@@](CC2=O)([C@@]([C@]1(OC)[H])(OC(=O)C)[H])[H])[H]
SPLASH splash10-05i0-5900000000-f5b48555b92370bb09c6
Source of Spectrum H-70-1716-25
Synonyms (1RS,2RS,3SR,4RS)-3-endo-methoxy-5-oxo-7-oxabicyclo[2.2.1]hept-2-exo-yl acetate 3-Methoxy-5-oxo-7-oxabicyclo[2.2.1]hept-2-yl acetate
Wiley ID 1197259