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1-Naphthalenepropanoic acid, 1,2,3,5,6,7,8,8A-octahydro-2-methyl-3-oxo-, tms
SpectraBase Compound ID 87JxTjjxiS7
InChI InChI=1S/C17H28O3Si/c1-12-14(9-10-17(19)20-21(2,3)4)15-8-6-5-7-13(15)11-16(12)18/h11-12,14-15H,5-10H2,1-4H3
InChIKey SPMDAOOUOGDVSW-UHFFFAOYSA-N
Mol Weight 308.49 g/mol
Molecular Formula C17H28O3Si
Exact Mass 308.180771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FFtJYz0eyGN
Name 1-Naphthalenepropanoic acid, 1,2,3,5,6,7,8,8A-octahydro-2-methyl-3-oxo-, tms
Comments Computed using HOSE algorithm
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Exact Mass 308.180771294 u
Formula C17H28O3Si
InChI InChI=1S/C17H28O3Si/c1-12-14(9-10-17(19)20-21(2,3)4)15-8-6-5-7-13(15)11-16(12)18/h11-12,14-15H,5-10H2,1-4H3
InChIKey SPMDAOOUOGDVSW-UHFFFAOYSA-N
Molecular Weight 308.493 g/mol
SMILES C[Si](OC(=O)CCC1C(C)C(=O)C=C2C1CCCC2)(C)C