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Methyl 7-acetoxymethyl-3-methylene-1,7-dimethyl-8-oxobicyclo[4.4.0]decan-2-carboxylate
SpectraBase Compound ID JHrUr1ClMya
InChI InChI=1S/C18H26O5/c1-11-6-7-13-17(3,15(11)16(21)22-5)9-8-14(20)18(13,4)10-23-12(2)19/h13,15H,1,6-10H2,2-5H3
InChIKey HVOQRMWTHPPXSQ-UHFFFAOYSA-N
Mol Weight 322.4 g/mol
Molecular Formula C18H26O5
Exact Mass 322.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9AIFKHm72HI
Name Methyl 7-acetoxymethyl-3-methylene-1,7-dimethyl-8-oxobicyclo[4.4.0]decan-2-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 322.178023932 u
Formula C18H26O5
InChI InChI=1S/C18H26O5/c1-11-6-7-13-17(3,15(11)16(21)22-5)9-8-14(20)18(13,4)10-23-12(2)19/h13,15H,1,6-10H2,2-5H3
InChIKey HVOQRMWTHPPXSQ-UHFFFAOYSA-N
Molecular Weight 322.401 g/mol
SMILES C12(C(C(CCC2C(C(CC1)=O)(C)COC(=O)C)=C)C(=O)OC)C