| SpectraBase Compound ID | 25Tk8kHpV1r |
|---|---|
| InChI | InChI=1S/C40H35F3O3Si/c1-33(46-37(44)39(45-5,40(41,42)43)34-26-18-14-19-27-34)25-17-12-10-8-6-7-9-11-13-24-32-47(38(2,3)4,35-28-20-15-21-29-35)36-30-22-16-23-31-36/h10,12,14-23,25-31,33H,1-5H3/b12-10+,25-17+/t33-,39+/m0/s1 |
| InChIKey | YBEMQTFPJUMGTJ-QJJLBXPUSA-N |
| Mol Weight | 648.8 g/mol |
| Molecular Formula | C40H35F3O3Si |
| Exact Mass | 648.230756 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DDw2OLJq2vM |
|---|---|
| Name | (2S)-14-(tert-Butyldiphenylsilyl)-3E,5(E/Z)-tetradecadiene-7,9,11,13-tetrayn-2-ol (R)-MTPA ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H35F3O3Si |
| InChI | InChI=1S/C40H35F3O3Si/c1-33(46-37(44)39(45-5,40(41,42)43)34-26-18-14-19-27-34)25-17-12-10-8-6-7-9-11-13-24-32-47(38(2,3)4,35-28-20-15-21-29-35)36-30-22-16-23-31-36/h10,12,14-23,25-31,33H,1-5H3/b12-10+,25-17+/t33-,39+/m0/s1 |
| InChIKey | YBEMQTFPJUMGTJ-QJJLBXPUSA-N |
| Molecular Weight | 648.797 g/mol |
| SMILES | [C@@](C(O[C@](\C=C\C=C\C#CC#CC#CC#C[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)(C)[H])=O)(C(F)(F)F)(c1ccccc1)OC |
| SPLASH | splash10-002r-0950010000-0190f56641f8113623fd |
| Source of Spectrum | E1-38-5020-9 |
| Synonyms | (2S)-14-(tert-Butyldiphenylsilyl)-3,5-tetradecadiene-7,9,11,13-tetrayn-2-ol (R)-MTPA ester (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(2S,3E,5E)-14-[tert-butyl(diphenyl)silyl]tetradeca-3,5-dien-7,9,11,13-tetrayn-2-yl] ester [(2S,3E,5E)-14-[tert-butyl(diphenyl)silyl]tetradeca-3,5-dien-7,9,11,13-tetrayn-2-yl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate [(1S,2E,4E)-13-[tert-butyl(diphenyl)silyl]-1-methyl-trideca-2,4-dien-6,8,10,12-tetraynyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate [(2S,3E,5E)-14-[tert-butyl(diphenyl)silyl]tetradeca-3,5-dien-7,9,11,13-tetrayn-2-yl] (2R)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate |
| Wiley ID | 1598557 |