| SpectraBase Compound ID | 7T5B4Q6RHYJ |
|---|---|
| InChI | InChI=1S/C13H13IN2O2/c14-11-5-3-10(4-6-11)13(17)18-7-1-2-12-8-15-9-16-12/h3-6,8-9H,1-2,7H2,(H,15,16) |
| InChIKey | QFNFPJBLDYXDDK-UHFFFAOYSA-N |
| Mol Weight | 356.16 g/mol |
| Molecular Formula | C13H13IN2O2 |
| Exact Mass | 356.002173 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J7BTM7oWG4I |
|---|---|
| Name | 3-(1H-Imidazol-4-yl)propyl N-(4-iodophenyl)methanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.002172665 u |
| Formula | C13H13IN2O2 |
| InChI | InChI=1S/C13H13IN2O2/c14-11-5-3-10(4-6-11)13(17)18-7-1-2-12-8-15-9-16-12/h3-6,8-9H,1-2,7H2,(H,15,16) |
| InChIKey | QFNFPJBLDYXDDK-UHFFFAOYSA-N |
| Molecular Weight | 356.163 g/mol |
| SMILES | C1=NC(=CN1)CCCOC(C1=CC=C(C=C1)I)=O |