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1,1-Dimethylethyl 2-(cyclohexylmethyl)-3-((1,1-dimethylethyl)diphenylsilyloxy)butanoate (5:1 anti/syn mixture)
SpectraBase Compound ID GB8p6CRuwiV
InChI InChI=1S/C31H46O3Si/c1-24(28(29(32)33-30(2,3)4)23-25-17-11-8-12-18-25)34-35(31(5,6)7,26-19-13-9-14-20-26)27-21-15-10-16-22-27/h9-10,13-16,19-22,24-25,28H,8,11-12,17-18,23H2,1-7H3/t24-,28+/m1/s1
InChIKey LFACCCNZGZXCAV-YWEHKCAJSA-N
Mol Weight 494.8 g/mol
Molecular Formula C31H46O3Si
Exact Mass 494.321622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7v9g1Evz1pr
Name 1,1-Dimethylethyl 2-(cyclohexylmethyl)-3-((1,1-dimethylethyl)diphenylsilyloxy)butanoate (5:1 anti/syn mixture)
Alternate Name(s) (2S,3R)-1,1-dimethylethyl 2-(cyclohexylmethyl)-3-((1,1-dimethylethyl)diphenylsilyloxy)butanoate (5:1 anti/syn mixture) tert-Butyl 3-{[tert-butyl(diphenyl)silyl]oxy}-2-(cyclohexylmethyl)butanoate
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Formula C31H46O3Si
InChI InChI=1S/C31H46O3Si/c1-24(28(29(32)33-30(2,3)4)23-25-17-11-8-12-18-25)34-35(31(5,6)7,26-19-13-9-14-20-26)27-21-15-10-16-22-27/h9-10,13-16,19-22,24-25,28H,8,11-12,17-18,23H2,1-7H3/t24-,28+/m1/s1
InChIKey LFACCCNZGZXCAV-YWEHKCAJSA-N
Molecular Weight 494.791 g/mol
SMILES [C@](C(OC(C)(C)C)=O)([C@](O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)(C)[H])(CC1CCCCC1)[H]
SPLASH splash10-0012-1901000000-bd9fddd5d91005905254
Source of Spectrum B-47-2187-0
Wiley ID 1397989