| SpectraBase Compound ID | HfVNwJYCPUx |
|---|---|
| InChI | InChI=1S/C16H17I/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15/h5-12H,2-4H2,1H3 |
| InChIKey | KTEKHPDWAMYUBP-UHFFFAOYSA-N |
| Mol Weight | 336.22 g/mol |
| Molecular Formula | C16H17I |
| Exact Mass | 336.037496 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B2z2R4t1kDt |
|---|---|
| Name | 4-Butyl-4'-iodobiphenyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.037495547 u |
| Formula | C16H17I |
| InChI | InChI=1S/C16H17I/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15/h5-12H,2-4H2,1H3 |
| InChIKey | KTEKHPDWAMYUBP-UHFFFAOYSA-N |
| Molecular Weight | 336.216 g/mol |
| SMILES | C1(I)=CC=C(C=C1)C1=CC=C(C=C1)CCCC |