| SpectraBase Compound ID | GAF2p4i3kNK |
|---|---|
| InChI | InChI=1S/C11H12INO/c1-8-2-4-9(5-3-8)11-6-10(7-12)14-13-11/h2-5,10H,6-7H2,1H3 |
| InChIKey | CRMGMZNJGHCCAK-UHFFFAOYSA-N |
| Mol Weight | 301.13 g/mol |
| Molecular Formula | C11H12INO |
| Exact Mass | 300.996359 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7at5LFb3ZTc |
|---|---|
| Name | 5-(Iodanylmethyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.996359009 u |
| Formula | C11H12INO |
| InChI | InChI=1S/C11H12INO/c1-8-2-4-9(5-3-8)11-6-10(7-12)14-13-11/h2-5,10H,6-7H2,1H3 |
| InChIKey | CRMGMZNJGHCCAK-UHFFFAOYSA-N |
| Molecular Weight | 301.127 g/mol |
| SMILES | C1(=NOC(C1)CI)C=1C=CC(=CC1)C |