| SpectraBase Compound ID | E1GYDFmFbnQ |
|---|---|
| InChI | InChI=1S/C25H30INO3S/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/h9-10,12,14-17,21,27H,6-8,11,13,18H2,1-3H3/t21-,31?/m1/s1 |
| InChIKey | KZFZSCICGIPLCY-UBIBJYAGSA-N |
| Mol Weight | 551.48 g/mol |
| Molecular Formula | C25H30INO3S |
| Exact Mass | 551.09911 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GVhVznuaud9 |
|---|---|
| Name | (R)-N-((R)-1-(3-Iodo-4-methoxyphenyl)-3-oxoundec-9-yn-5-yl)-4-methylbenzenesulfinamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H30INO3S |
| InChI | InChI=1S/C25H30INO3S/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/h9-10,12,14-17,21,27H,6-8,11,13,18H2,1-3H3/t21-,31?/m1/s1 |
| InChIKey | KZFZSCICGIPLCY-UBIBJYAGSA-N |
| Literature Reference DOI | 10.1002/anie.201402550 |
| Molecular Weight | 551.483 g/mol |
| SMILES | N([C@](CCCC#CC)(CC(=O)CCc1ccc(OC)c(I)c1)[H])[S@@](c1ccc(cc1)C)=O |
| SPLASH | splash10-03ds-3940300000-7eba40f8148afe32a426 |
| Source of Spectrum | ACI-53-SMS-6-14 |
| Wiley ID | 1782521 |