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5-[5-(Acetyloxymethyl)-1,2,4A-trimethyl-7-oxo-3,4,8,8A-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid, tms derivative

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5-[5-(Acetyloxymethyl)-1,2,4A-trimethyl-7-oxo-3,4,8,8A-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid, tms derivative
SpectraBase Compound ID 7OJbcgt7AKu
InChI InChI=1S/C25H42O5Si/c1-17(13-23(28)30-31(6,7)8)9-11-24(4)18(2)10-12-25(5)20(16-29-19(3)26)14-21(27)15-22(24)25/h14,17-18,22H,9-13,15-16H2,1-8H3
InChIKey ZTAVZJMOPGOBDN-UHFFFAOYSA-N
Mol Weight 450.7 g/mol
Molecular Formula C25H42O5Si
Exact Mass 450.280151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DY3Pedjdhlb
Name 5-[5-(Acetyloxymethyl)-1,2,4A-trimethyl-7-oxo-3,4,8,8A-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid, tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.280150982 u
Formula C25H42O5Si
InChI InChI=1S/C25H42O5Si/c1-17(13-23(28)30-31(6,7)8)9-11-24(4)18(2)10-12-25(5)20(16-29-19(3)26)14-21(27)15-22(24)25/h14,17-18,22H,9-13,15-16H2,1-8H3
InChIKey ZTAVZJMOPGOBDN-UHFFFAOYSA-N
Molecular Weight 450.691 g/mol
SMILES C1(C(CCC2(C1CC(C=C2COC(=O)C)=O)C)C)(CCC(CC(=O)O[Si](C)(C)C)C)C