![bis-[4-(5'-Iodopentyl)phenyl] methane](/api/spectrum/E7IzsN4Xf9e/structure.png?h=300&w=458 "bis-[4-(5'-Iodopentyl)phenyl] methane")
| SpectraBase Compound ID | BaAzAf6Ka1L |
|---|---|
| InChI | InChI=1S/C23H30I2/c24-17-5-1-3-7-20-9-13-22(14-10-20)19-23-15-11-21(12-16-23)8-4-2-6-18-25/h9-16H,1-8,17-19H2 |
| InChIKey | JOMDJUHDRCNKJJ-UHFFFAOYSA-N |
| Mol Weight | 560.3 g/mol |
| Molecular Formula | C23H30I2 |
| Exact Mass | 560.043691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E7IzsN4Xf9e |
|---|---|
| Name | bis-[4-(5'-Iodopentyl)phenyl] methane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 560.043690966 u |
| Formula | C23H30I2 |
| InChI | InChI=1S/C23H30I2/c24-17-5-1-3-7-20-9-13-22(14-10-20)19-23-15-11-21(12-16-23)8-4-2-6-18-25/h9-16H,1-8,17-19H2 |
| InChIKey | JOMDJUHDRCNKJJ-UHFFFAOYSA-N |
| Molecular Weight | 560.302 g/mol |
| SMILES | C=1(CC=2C=CC(=CC2)CCCCCI)C=CC(=CC1)CCCCCI |