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(1R*,3R*,5S*)-11-Acetoxy-12-(methoxycarbonyl)-2-oxatricyclo[6.3.1.0(1,5)]dodec-11-ene
SpectraBase Compound ID KNy7EVg8UQk
InChI InChI=1S/C15H21O5/c1-9(16)20-12-6-4-10-3-5-11-7-8-19-15(11,12)13(10)14(17)18-2/h10-11,13H,3-8H2,1-2H3/t10-,11+,13-/m1/s1
InChIKey GBRPXXCYMOXDRH-AKJDGMEZSA-N
Mol Weight 281.33 g/mol
Molecular Formula C15H21O5
Exact Mass 281.138899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID WZ74aam9o
Name (1R*,3R*,5S*)-11-Acetoxy-12-(methoxycarbonyl)-2-oxatricyclo[6.3.1.0(1,5)]dodec-11-ene
Comments Note: The molecular formula of the structure shown is C15H21O5 - which differs from the formula reported for the mass spectrum (C15H22O5)
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Formula C15H22O5
InChI InChI=1S/C15H21O5/c1-9(16)20-12-6-4-10-3-5-11-7-8-19-15(11,12)13(10)14(17)18-2/h10-11,13H,3-8H2,1-2H3/t10-,11+,13-/m1/s1
InChIKey GBRPXXCYMOXDRH-AKJDGMEZSA-N
Molecular Weight 281.328 g/mol
SMILES [C]12=3OCC[C@@]2(CC[C@](CCC3OC(=O)C)([C@@]1(C(=O)OC)[H])[H])[H]
SPLASH splash10-000f-6960000000-f5247f2328ba946e0f41
Source of Spectrum J-58-5941-9
Synonyms (1R,7S,12S)-10-Acetoxy-12-oxa-tricyclo[6.3.1.0*1,5*]dodec-9-ene-9-carboxylic acid methyl ester
Wiley ID 1285814