| SpectraBase Compound ID | DCuibmNDDHh |
|---|---|
| InChI | InChI=1S/C12H12INO/c13-7-6-11-9-15-14-12(11)8-10-4-2-1-3-5-10/h1-5,9H,6-8H2 |
| InChIKey | QVUOHJNZDPZOJC-UHFFFAOYSA-N |
| Mol Weight | 313.14 g/mol |
| Molecular Formula | C12H12INO |
| Exact Mass | 312.996359 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CVWLckqMMip |
|---|---|
| Name | 3-Benzyl-4-(2-iodoethyl)isoxazole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H12INO |
| InChI | InChI=1S/C12H12INO/c13-7-6-11-9-15-14-12(11)8-10-4-2-1-3-5-10/h1-5,9H,6-8H2 |
| InChIKey | QVUOHJNZDPZOJC-UHFFFAOYSA-N |
| Molecular Weight | 313.138 g/mol |
| SMILES | c1(nocc1CCI)Cc1ccccc1 |
| SPLASH | splash10-000f-9800000000-f21197af410fa4bc7ef3 |
| Source of Spectrum | O1-60-1629-4 |
| Wiley ID | 1592163 |