| SpectraBase Compound ID | b6xD977bRc |
|---|---|
| InChI | InChI=1S/C12H19IO3/c1-2-16-11(15)12(8-5-9-13)7-4-3-6-10(12)14/h2-9H2,1H3 |
| InChIKey | RNYUBCVAFUMUFF-UHFFFAOYSA-N |
| Mol Weight | 338.19 g/mol |
| Molecular Formula | C12H19IO3 |
| Exact Mass | 338.037889 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6br8Cb9gIn8 |
|---|---|
| Name | Cyclohexanecarboxylic acid, 1-(3-iodopropyl)-2-oxo-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.037889469 u |
| Formula | C12H19IO3 |
| InChI | InChI=1S/C12H19IO3/c1-2-16-11(15)12(8-5-9-13)7-4-3-6-10(12)14/h2-9H2,1H3 |
| InChIKey | RNYUBCVAFUMUFF-UHFFFAOYSA-N |
| Molecular Weight | 338.185 g/mol |
| SMILES | C1(C(=O)OCC)(C(=O)CCCC1)CCCI |