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(2S,3R,6S)-2-(3-ketobutyl)-3-methyl-6-[(1R)-1-methyl-2-triisopropylsilyloxy-ethyl]cyclohexanone

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(2S,3R,6S)-2-(3-ketobutyl)-3-methyl-6-[(1R)-1-methyl-2-triisopropylsilyloxy-ethyl]cyclohexanone
SpectraBase Compound ID L7PqSpXt2Oj
InChI InChI=1S/C23H44O3Si/c1-15(2)27(16(3)4,17(5)6)26-14-19(8)22-12-10-18(7)21(23(22)25)13-11-20(9)24/h15-19,21-22H,10-14H2,1-9H3/t18-,19+,21+,22+/m1/s1
InChIKey SXMPJTRHBZJHQW-WAGURGNTSA-N
Mol Weight 396.7 g/mol
Molecular Formula C23H44O3Si
Exact Mass 396.305972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8WLvLshd3I9
Name (2S,3R,6S)-2-(3-Ketobutyl)-3-methyl-6-[(1R)-1-methyl-2-triisopropylsilyloxy-ethyl]cyclohexanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.305971809 u
Formula C23H44O3Si
InChI InChI=1S/C23H44O3Si/c1-15(2)27(16(3)4,17(5)6)26-14-19(8)22-12-10-18(7)21(23(22)25)13-11-20(9)24/h15-19,21-22H,10-14H2,1-9H3/t18-,19+,21+,22+/m1/s1
InChIKey SXMPJTRHBZJHQW-WAGURGNTSA-N
Molecular Weight 396.687 g/mol
SMILES C1([C@@](CCC(=O)C)([C@](C)(CC[C@]1([C@](CO[Si](C(C)C)(C(C)C)C(C)C)(C)[H])[H])[H])[H])=O