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5-[(1S,2R,4ar)-1,2,4A,5-Tetramethyl-7-oxo-1,2,3,4,4A,7,8,8A-octahydronaphthalen-1-yl]-3-methylpentanoic acid, tms

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5-[(1S,2R,4ar)-1,2,4A,5-Tetramethyl-7-oxo-1,2,3,4,4A,7,8,8A-octahydronaphthalen-1-yl]-3-methylpentanoic acid, tms
SpectraBase Compound ID CLXm1f3JGZo
InChI InChI=1S/C23H40O3Si/c1-16(13-21(25)26-27(6,7)8)9-11-22(4)17(2)10-12-23(5)18(3)14-19(24)15-20(22)23/h14,16-17,20H,9-13,15H2,1-8H3/t16?,17-,20?,22+,23+/m1/s1
InChIKey YSMVQMGZJJDLKL-CMEBREIISA-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 1kaGskvYmKL
Name 5-[(1S,2R,4ar)-1,2,4A,5-Tetramethyl-7-oxo-1,2,3,4,4A,7,8,8A-octahydronaphthalen-1-yl]-3-methylpentanoic acid, tms
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(13-21(25)26-27(6,7)8)9-11-22(4)17(2)10-12-23(5)18(3)14-19(24)15-20(22)23/h14,16-17,20H,9-13,15H2,1-8H3/t16?,17-,20?,22+,23+/m1/s1
InChIKey YSMVQMGZJJDLKL-CMEBREIISA-N
Molecular Weight 392.655 g/mol
SMILES C(CC(CC[C@]1([C@@](CC[C@@]2(C1CC(C=C2C)=O)C)(C)[H])C)C)(=O)O[Si](C)(C)C