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3,6-Methanobenzofuran-8-carboxylic acid, octahydro-7-hydroxy-2-oxo-, (3.alpha.,3a.beta.,6.alpha.,7.beta.,7a.beta.,8S*)-(.+-.)-
SpectraBase Compound ID 7IWUwFidAog
InChI InChI=1S/C10H12O5/c11-7-3-1-2-4-6(5(3)9(12)13)10(14)15-8(4)7/h3-8,11H,1-2H2,(H,12,13)/t3-,4+,5+,6+,7+,8-/m0/s1
InChIKey KWBBJRDGSPBFNX-UFHHHNHISA-N
Mol Weight 212.2 g/mol
Molecular Formula C10H12O5
Exact Mass 212.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6yvsRGZwj37
Name 3,6-Methanobenzofuran-8-carboxylic acid, octahydro-7-hydroxy-2-oxo-, (3.alpha.,3a.beta.,6.alpha.,7.beta.,7a.beta.,8S*)-(.+-.)-
CAS Registry Number 79813-45-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O5
InChI InChI=1S/C10H12O5/c11-7-3-1-2-4-6(5(3)9(12)13)10(14)15-8(4)7/h3-8,11H,1-2H2,(H,12,13)/t3-,4+,5+,6+,7+,8-/m0/s1
InChIKey KWBBJRDGSPBFNX-UFHHHNHISA-N
Molecular Weight 212.201 g/mol
SMILES O[C@]1([C@]2(OC([C@]3([C@](C(=O)O)([C@]1([H])CC[C@@]23[H])[H])[H])=O)[H])[H]
SPLASH splash10-0002-6900000000-c157c04c0e5288e34c81
Source of Spectrum B-34-1294-0
Synonyms (1S,2R,3S,6S,7R,10S)-2-hydroxy-5-oxo-4-oxatricyclo[4.3.1.0(3,7)]decane-10-carboxylic acid endo-3-carboxy-exo-5-hydroxybicyclo[2.2.2]octane-2,6-carbolactone
Wiley ID 1210984