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2,7-Bis(acetoxymethyl)-3-methylene-1,7-dimethylbicyclo[4.4.0]decan-8-one
SpectraBase Compound ID 1NcYYqW3mDl
InChI InChI=1S/C19H28O5/c1-12-6-7-16-18(4,15(12)10-23-13(2)20)9-8-17(22)19(16,5)11-24-14(3)21/h15-16H,1,6-11H2,2-5H3
InChIKey VSPVWCPLEQSQCB-UHFFFAOYSA-N
Mol Weight 336.43 g/mol
Molecular Formula C19H28O5
Exact Mass 336.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AZ5qS6g5ulG
Name 2,7-bis(Acetoxymethyl)-3-methylene-1,7-dimethylbicyclo[4.4.0]decan-8-one
Comments Computed using HOSE algorithm
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Exact Mass 336.193673997 u
Formula C19H28O5
InChI InChI=1S/C19H28O5/c1-12-6-7-16-18(4,15(12)10-23-13(2)20)9-8-17(22)19(16,5)11-24-14(3)21/h15-16H,1,6-11H2,2-5H3
InChIKey VSPVWCPLEQSQCB-UHFFFAOYSA-N
Molecular Weight 336.428 g/mol
SMILES C12(C(C(CCC2C(C(CC1)=O)(C)COC(=O)C)=C)COC(=O)C)C