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2-[3-(tert-Butyldimethylsilyloxy)phenyl]-3-methoxy-3-(1-ethynyl)-1-cyclohexenylmethyl pivalate
SpectraBase Compound ID CMEVj6BQ7B7
InChI InChI=1S/C27H40O4Si/c1-11-27(29-8)17-13-15-21(19-30-24(28)25(2,3)4)23(27)20-14-12-16-22(18-20)31-32(9,10)26(5,6)7/h1,12,14,16,18H,13,15,17,19H2,2-10H3/t27-/m0/s1
InChIKey WCLVIHDKVRRJJN-MHZLTWQESA-N
Mol Weight 456.7 g/mol
Molecular Formula C27H40O4Si
Exact Mass 456.269586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GooC3e3HjXg
Name 2-[3-(tert-Butyldimethylsilyloxy)phenyl]-3-methoxy-3-(1-ethynyl)-1-cyclohexenylmethyl pivalate
Alternate Name(s) [(3R)-2-(3-{[tert-butyl(dimethyl)silyl]oxy}phenyl)-3-ethynyl-3-methoxy-1-cyclohexen-1-yl]methyl pivalate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40O4Si
InChI InChI=1S/C27H40O4Si/c1-11-27(29-8)17-13-15-21(19-30-24(28)25(2,3)4)23(27)20-14-12-16-22(18-20)31-32(9,10)26(5,6)7/h1,12,14,16,18H,13,15,17,19H2,2-10H3/t27-/m0/s1
InChIKey WCLVIHDKVRRJJN-MHZLTWQESA-N
Molecular Weight 456.698 g/mol
SMILES C=1(c2cc(O[Si](C(C)(C)C)(C)C)ccc2)[C@@](C#C)(OC)CCCC1COC(C(C)(C)C)=O
SPLASH splash10-0pb9-0905000000-b2aee01da91edd9cc1b6
Source of Spectrum F-53-9163-11
Wiley ID 802722