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3,6-Methanobenzofuran-8-carboxylic acid, 7-(acetyloxy)octahydro-2-oxo-, (3.alpha.,3a.beta.,6.alpha.,7.alpha.,7a.beta.,8R*)-(.+-.)-
SpectraBase Compound ID LwwyrmwE4Od
InChI InChI=1S/C12H14O6/c1-4(13)17-9-5-2-3-6-8(7(5)11(14)15)12(16)18-10(6)9/h5-10H,2-3H2,1H3,(H,14,15)/t5-,6+,7+,8+,9-,10-/m0/s1
InChIKey UMIVATRBRFXZCK-PRAQBBQZSA-N
Mol Weight 254.24 g/mol
Molecular Formula C12H14O6
Exact Mass 254.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ii72otBq5By
Name 3,6-Methanobenzofuran-8-carboxylic acid, 7-(acetyloxy)octahydro-2-oxo-, (3.alpha.,3a.beta.,6.alpha.,7.alpha.,7a.beta.,8R*)-(.+-.)-
CAS Registry Number 79755-34-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O6
InChI InChI=1S/C12H14O6/c1-4(13)17-9-5-2-3-6-8(7(5)11(14)15)12(16)18-10(6)9/h5-10H,2-3H2,1H3,(H,14,15)/t5-,6+,7+,8+,9-,10-/m0/s1
InChIKey UMIVATRBRFXZCK-PRAQBBQZSA-N
Molecular Weight 254.238 g/mol
SMILES OC([C@]1([C@@]2(C(O[C@@]3([C@](OC(=O)C)([H])[C@@]1([H])CC[C@]23[H])[H])=O)[H])[H])=O
SPLASH splash10-014l-0920000000-587e96707f84e4afe651
Source of Spectrum B-34-1292-0
Synonyms (1S,2S,3S,6S,7R,10R)-2-(acetyloxy)-5-oxo-4-oxatricyclo[4.3.1.0(3,7)]decane-10-carboxylic acid endo-5-acetoxy-exo-3-carboxybicyclo[2.2.2]octane-2,6-carbolactone
Wiley ID 1257368