| SpectraBase Compound ID | 6g09m4aUAkS |
|---|---|
| InChI | InChI=1S/C25H32INO3S/c1-4-5-6-7-8-21(27-31(29)23-14-9-19(2)10-15-23)18-22(28)13-11-20-12-16-25(30-3)24(26)17-20/h9-10,12,14-17,21-22,27-28H,6-8,11,13,18H2,1-3H3/t21-,22+,31?/m1/s1 |
| InChIKey | MLYZTKLOVCDDAH-GQHWJEKJSA-N |
| Mol Weight | 553.5 g/mol |
| Molecular Formula | C25H32INO3S |
| Exact Mass | 553.11476 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8LDefw84I7b |
|---|---|
| Name | (R)-N-((3S,5R)-3-Hydroxy-1-(3-iodo-4-methoxyphenyl)undec-9-yn-5-yl)-4-methylbenzenesulfinamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H32INO3S |
| InChI | InChI=1S/C25H32INO3S/c1-4-5-6-7-8-21(27-31(29)23-14-9-19(2)10-15-23)18-22(28)13-11-20-12-16-25(30-3)24(26)17-20/h9-10,12,14-17,21-22,27-28H,6-8,11,13,18H2,1-3H3/t21-,22+,31?/m1/s1 |
| InChIKey | MLYZTKLOVCDDAH-GQHWJEKJSA-N |
| Literature Reference DOI | 10.1002/anie.201402550 |
| Molecular Weight | 553.499 g/mol |
| SMILES | O[C@](C[C@@](CCCC#CC)(N[S@@](c1ccc(cc1)C)=O)[H])(CCc1ccc(OC)c(I)c1)[H] |
| SPLASH | splash10-03dr-2920800000-c99a18aad3734e627dd1 |
| Source of Spectrum | ACI-53-SMS-7-syn_15 |
| Wiley ID | 1782530 |