![Acetic acid, 6-iodo-9-oxa-bicyclo[3.3.1]non-2-yl ester](/api/spectrum/5NtMDQttxEu/structure.png?h=300&w=458 "Acetic acid, 6-iodo-9-oxa-bicyclo[3.3.1]non-2-yl ester")
| SpectraBase Compound ID | IU3YCP4zKqL |
|---|---|
| InChI | InChI=1S/C10H19IO2/c1-4-10(11)7-5-6-8(2)13-9(3)12/h8,10H,4-7H2,1-3H3 |
| InChIKey | MBWQCIVECUVPOI-UHFFFAOYSA-N |
| Mol Weight | 298.16 g/mol |
| Molecular Formula | C10H19IO2 |
| Exact Mass | 298.042975 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5NtMDQttxEu |
|---|---|
| Name | Acetic acid, 6-iodo-9-oxa-bicyclo[3.3.1]non-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.042974850 u |
| Formula | C10H19IO2 |
| InChI | InChI=1S/C10H19IO2/c1-4-10(11)7-5-6-8(2)13-9(3)12/h8,10H,4-7H2,1-3H3 |
| InChIKey | MBWQCIVECUVPOI-UHFFFAOYSA-N |
| Molecular Weight | 298.164 g/mol |
| Nominal Mass | 298 u |
| SMILES | CC(CCCC(CC)I)OC(C)=O |