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1-Naphthalenepentanoic acid, 3,4,4A,5,6,7,8,8A-octahydro-.beta.,2,5,5,8A-pentamethyl-3-oxo-, (8as)-, tms ester
SpectraBase Compound ID 3UBE1eedt85
InChI InChI=1S/C23H40O3Si/c1-16(14-21(25)26-27(6,7)8)10-11-18-17(2)19(24)15-20-22(3,4)12-9-13-23(18,20)5/h16,20H,9-15H2,1-8H3/t16?,20?,23-/m1/s1
InChIKey SAUADCXFKBVDMF-XXLUKPGQSA-N
Mol Weight 392.7 g/mol
Molecular Formula C23H40O3Si
Exact Mass 392.274672 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3DaM6qnyP1E
Name 1-Naphthalenepentanoic acid, 3,4,4A,5,6,7,8,8A-octahydro-.beta.,2,5,5,8A-pentamethyl-3-oxo-, (8as)-, tms ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.274671680 u
Formula C23H40O3Si
InChI InChI=1S/C23H40O3Si/c1-16(14-21(25)26-27(6,7)8)10-11-18-17(2)19(24)15-20-22(3,4)12-9-13-23(18,20)5/h16,20H,9-15H2,1-8H3/t16?,20?,23-/m1/s1
InChIKey SAUADCXFKBVDMF-XXLUKPGQSA-N
Molecular Weight 392.655 g/mol
SMILES C1CC(C2CC(C(=C([C@]2(C1)C)CCC(CC(=O)O[Si](C)(C)C)C)C)=O)(C)C