| SpectraBase Compound ID | 61yRQmg78TQ |
|---|---|
| InChI | InChI=1S/C12H17IO5S/c1-16-11-7-9(10(13)8-12(11)17-2)5-4-6-18-19(3,14)15/h7-8H,4-6H2,1-3H3 |
| InChIKey | KJFIFBZUNJBDOF-UHFFFAOYSA-N |
| Mol Weight | 400.23 g/mol |
| Molecular Formula | C12H17IO5S |
| Exact Mass | 399.98414 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LjAymr1OMqr |
|---|---|
| Name | 3-(2-Iodo-4,5-dimethoxyphenyl)propyl methanesulfonate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H17IO5S |
| InChI | InChI=1S/C12H17IO5S/c1-16-11-7-9(10(13)8-12(11)17-2)5-4-6-18-19(3,14)15/h7-8H,4-6H2,1-3H3 |
| InChIKey | KJFIFBZUNJBDOF-UHFFFAOYSA-N |
| Molecular Weight | 400.227 g/mol |
| SMILES | CS(=O)(=O)OCCCc1c(cc(c(c1)OC)OC)I |
| SPLASH | splash10-0ufr-1671900000-56cc11853774b4fdfcf9 |
| Source of Spectrum | KC-61-3316-12 |
| Wiley ID | 1628476 |