| SpectraBase Compound ID | B4WDb0zfgEs |
|---|---|
| InChI | InChI=1S/C8H13IO4/c1-2-12-7(10)6-8(11)13-5-3-4-9/h2-6H2,1H3 |
| InChIKey | KHWUEEWSDUYTNQ-UHFFFAOYSA-N |
| Mol Weight | 300.09 g/mol |
| Molecular Formula | C8H13IO4 |
| Exact Mass | 299.985854 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4mUF43SdNYO |
|---|---|
| Name | Ethyl 3-iodopropyl propanedioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.985853895 u |
| Formula | C8H13IO4 |
| InChI | InChI=1S/C8H13IO4/c1-2-12-7(10)6-8(11)13-5-3-4-9/h2-6H2,1H3 |
| InChIKey | KHWUEEWSDUYTNQ-UHFFFAOYSA-N |
| Molecular Weight | 300.092 g/mol |
| SMILES | C(C(=O)OCC)C(=O)OCCCI |