| SpectraBase Compound ID | Eg4gfqctSHg |
|---|---|
| InChI | InChI=1S/C7H13IO2/c1-2-3-6-10-7(9)4-5-8/h2-6H2,1H3 |
| InChIKey | GFBSJOIIEKBRHY-UHFFFAOYSA-N |
| Mol Weight | 256.08 g/mol |
| Molecular Formula | C7H13IO2 |
| Exact Mass | 255.996025 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JJ0yFvEJiBQ |
|---|---|
| Name | Propionic acid, 3-iodo-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.996024657 u |
| Formula | C7H13IO2 |
| InChI | InChI=1S/C7H13IO2/c1-2-3-6-10-7(9)4-5-8/h2-6H2,1H3 |
| InChIKey | GFBSJOIIEKBRHY-UHFFFAOYSA-N |
| Molecular Weight | 256.083 g/mol |
| SMILES | C(CC(OCCCC)=O)I |