| SpectraBase Compound ID | L4quiOV2a9D |
|---|---|
| InChI | InChI=1S/C10H9IO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h2-7H,1H3/b3-2+ |
| InChIKey | RNZRSAAJEHQBKM-NSCUHMNNSA-N |
| Mol Weight | 272.09 g/mol |
| Molecular Formula | C10H9IO |
| Exact Mass | 271.96981 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L9Kd0DJam0m |
|---|---|
| Name | 3-Buten-2-one, 4-(4-iodophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.969809909 u |
| Formula | C10H9IO |
| InChI | InChI=1S/C10H9IO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h2-7H,1H3/b3-2+ |
| InChIKey | RNZRSAAJEHQBKM-NSCUHMNNSA-N |
| Molecular Weight | 272.085 g/mol |
| SMILES | C1(=CC=C(C=C1)I)\C=C\C(=O)C |