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3,6-Methanobenzofuran-8-carboxylic acid, 7-(acetyloxy)octahydro-2-oxo-, methyl ester, (3.alpha.,3a.beta.,6.alpha.,7.alpha.,7a.beta.,8R*)-(.+-.)-
SpectraBase Compound ID 7vAKCBNX8Wc
InChI InChI=1S/C13H16O6/c1-5(14)18-10-6-3-4-7-9(8(6)12(15)17-2)13(16)19-11(7)10/h6-11H,3-4H2,1-2H3/t6-,7+,8+,9+,10-,11-/m0/s1
InChIKey GIUCLLDEQWSCFI-VDNGDJRNSA-N
Mol Weight 268.26 g/mol
Molecular Formula C13H16O6
Exact Mass 268.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ke3DHvZXsV
Name 3,6-Methanobenzofuran-8-carboxylic acid, 7-(acetyloxy)octahydro-2-oxo-, methyl ester, (3.alpha.,3a.beta.,6.alpha.,7.alpha.,7a.beta.,8R*)-(.+-.)-
CAS Registry Number 79813-38-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O6
InChI InChI=1S/C13H16O6/c1-5(14)18-10-6-3-4-7-9(8(6)12(15)17-2)13(16)19-11(7)10/h6-11H,3-4H2,1-2H3/t6-,7+,8+,9+,10-,11-/m0/s1
InChIKey GIUCLLDEQWSCFI-VDNGDJRNSA-N
Molecular Weight 268.265 g/mol
SMILES C1([C@]2([C@@]([C@@]3([H])[C@@]([C@](O1)([H])[C@@]2(CC3)[H])(OC(=O)C)[H])(C(=O)OC)[H])[H])=O
SPLASH splash10-0a7i-0590000000-fdb6efc0f6ced2cf7cd1
Source of Spectrum B-34-1292-0
Synonyms endo-5-acetoxy-exo-3-methoxycarbonylbicyclo[2.2.2]octane-2,6-carbolactone Methyl (1S,2S,3S,6S,7R,10R)-2-(acetyloxy)-5-oxo-4-oxatricyclo[4.3.1.0(3,7)]decane-10-carboxylate
Wiley ID 1271838