| SpectraBase Compound ID | 56rO9geICWD |
|---|---|
| InChI | InChI=1S/C41H50INO3SSi/c1-7-8-9-12-17-34(43-47(44)36-27-22-32(2)23-28-36)31-35(26-24-33-25-29-40(45-6)39(42)30-33)46-48(41(3,4)5,37-18-13-10-14-19-37)38-20-15-11-16-21-38/h10-11,13-16,18-23,25,27-30,34-35,43H,9,12,17,24,26,31H2,1-6H3/t34-,35+,47?/m1/s1 |
| InChIKey | POBHPTCHHCQRAO-LWHONXKESA-N |
| Mol Weight | 791.9 g/mol |
| Molecular Formula | C41H50INO3SSi |
| Exact Mass | 791.232537 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L8sQl1RhUuG |
|---|---|
| Name | (R)-N-((3S,5R)-3-((tert-Butyldiphenylsilyl)oxy)-1-(3-iodo-4-methoxyphenyl)undec-9-yn-5- yl)-4-methylbenzenesulfinamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C41H50INO3SSi |
| InChI | InChI=1S/C41H50INO3SSi/c1-7-8-9-12-17-34(43-47(44)36-27-22-32(2)23-28-36)31-35(26-24-33-25-29-40(45-6)39(42)30-33)46-48(41(3,4)5,37-18-13-10-14-19-37)38-20-15-11-16-21-38/h10-11,13-16,18-23,25,27-30,34-35,43H,9,12,17,24,26,31H2,1-6H3/t34-,35+,47?/m1/s1 |
| InChIKey | POBHPTCHHCQRAO-LWHONXKESA-N |
| Molecular Weight | 791.904 g/mol |
| SMILES | N([C@@](C[C@@](O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)(CCc1ccc(c(I)c1)OC)[H])(CCCC#CC)[H])[S@@](c1ccc(C)cc1)=O |
| SPLASH | splash10-0f8i-0220024900-5490edae89fba8a55ca9 |
| Source of Spectrum | ACI-53-SMS-8-16 |
| Synonyms | (R)-N-((3S,5R)-3-((tert-butyldiphenylsilyl)oxy)-1-(3-iodo-4-methoxyphenyl)undec-9-yn-5-yl)-4-methylbenzenesulfinamide |
| Wiley ID | 1782522 |