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5-(5-Methoxycarbonyl-5,8A-dimethyl-2-methylidene-3,4,4A,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentanoic acid, tms
SpectraBase Compound ID BgmuceS00Cd
InChI InChI=1S/C24H42O4Si/c1-17(16-21(25)28-29(6,7)8)10-12-19-18(2)11-13-20-23(19,3)14-9-15-24(20,4)22(26)27-5/h17,19-20H,2,9-16H2,1,3-8H3
InChIKey LMFGEVIUZIJGQJ-UHFFFAOYSA-N
Mol Weight 422.7 g/mol
Molecular Formula C24H42O4Si
Exact Mass 422.285236 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A8ynNvd6rjr
Name 5-(5-Methoxycarbonyl-5,8A-dimethyl-2-methylidene-3,4,4A,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentanoic acid, tms
Comments Computed using HOSE algorithm
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Exact Mass 422.285236363 u
Formula C24H42O4Si
InChI InChI=1S/C24H42O4Si/c1-17(16-21(25)28-29(6,7)8)10-12-19-18(2)11-13-20-23(19,3)14-9-15-24(20,4)22(26)27-5/h17,19-20H,2,9-16H2,1,3-8H3
InChIKey LMFGEVIUZIJGQJ-UHFFFAOYSA-N
Molecular Weight 422.681 g/mol
SMILES C1CC(C2CCC(C(C2(C1)C)CCC(C)CC(=O)O[Si](C)(C)C)=C)(C)C(OC)=O