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(1R,2R,3S,4S,5S,6R)-3-Carboxy-5,6-isopropylidenedioxy-2-methoxycarbonyl-bicyclo[2.2.1]heptane
SpectraBase Compound ID CEBn3F3v6rj
InChI InChI=1S/C13H18O6/c1-13(2)18-9-5-4-6(10(9)19-13)8(12(16)17-3)7(5)11(14)15/h5-10H,4H2,1-3H3,(H,14,15)/t5-,6+,7-,8+,9-,10+/m0/s1
InChIKey PRHPMARBZUIEJT-AZVNGCGHSA-N
Mol Weight 270.28 g/mol
Molecular Formula C13H18O6
Exact Mass 270.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FCDjzCfIs9o
Name (1R,2R,3S,4S,5S,6R)-3-Carboxy-5,6-isopropylidenedioxy-2-methoxycarbonyl-bicyclo[2.2.1]heptane
Alternate Name(s) (1R,2R,6S,7S,8S,9R)-9-(methoxycarbonyl)-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.0(2,6)]decane-8-carboxylic acid (1R,2S,3S,4S,5S,6R)-3-Carboxy-5,6-isopropylidenedioxy-2-methoxycarbonyl-3-vinylbicyclo[2.2.1]heptane
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Formula C13H18O6
InChI InChI=1S/C13H18O6/c1-13(2)18-9-5-4-6(10(9)19-13)8(12(16)17-3)7(5)11(14)15/h5-10H,4H2,1-3H3,(H,14,15)/t5-,6+,7-,8+,9-,10+/m0/s1
InChIKey PRHPMARBZUIEJT-AZVNGCGHSA-N
Molecular Weight 270.281 g/mol
SMILES OC([C@]1([C@]2([C@]3([C@@]([C@]([H])(C2)[C@]1(C(=O)OC)[H])(OC(O3)(C)C)[H])[H])[H])[H])=O
SPLASH splash10-0a4j-4390000000-05d7f7e6c0abd1f31436
Source of Spectrum QC-4-680-20
Wiley ID 883179