![1-(Trimethylacetoxy)-2-[(trimethylacetoxy)methyl]-4-iodobutane](/api/spectrum/3XGynYB2EKx/structure.png?h=300&w=458 "1-(Trimethylacetoxy)-2-[(trimethylacetoxy)methyl]-4-iodobutane")
| SpectraBase Compound ID | 6lu6m7SVjOR |
|---|---|
| InChI | InChI=1S/C15H27IO4/c1-14(2,3)12(17)19-9-11(7-8-16)10-20-13(18)15(4,5)6/h11H,7-10H2,1-6H3 |
| InChIKey | NOWJFHZQQLNHNI-UHFFFAOYSA-N |
| Mol Weight | 398.28 g/mol |
| Molecular Formula | C15H27IO4 |
| Exact Mass | 398.095404 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3XGynYB2EKx |
|---|---|
| Name | 1-(Trimethylacetoxy)-2-[(trimethylacetoxy)methyl]-4-iodobutane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.095404345 u |
| Formula | C15H27IO4 |
| InChI | InChI=1S/C15H27IO4/c1-14(2,3)12(17)19-9-11(7-8-16)10-20-13(18)15(4,5)6/h11H,7-10H2,1-6H3 |
| InChIKey | NOWJFHZQQLNHNI-UHFFFAOYSA-N |
| Molecular Weight | 398.281 g/mol |
| SMILES | C(C(C)(C)C)(OCC(COC(C(C)(C)C)=O)CCI)=O |