| SpectraBase Compound ID | KA5OT8rJnRT |
|---|---|
| InChI | InChI=1S/C16H25I/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)13-14-17/h9-12H,2-8,13-14H2,1H3 |
| InChIKey | YURZVKRFVMTWMC-UHFFFAOYSA-N |
| Mol Weight | 344.28 g/mol |
| Molecular Formula | C16H25I |
| Exact Mass | 344.100096 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Xc10TV2ryo |
|---|---|
| Name | 1-(2-Iodoethyl)-4-octylbenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.100095805 u |
| Formula | C16H25I |
| InChI | InChI=1S/C16H25I/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)13-14-17/h9-12H,2-8,13-14H2,1H3 |
| InChIKey | YURZVKRFVMTWMC-UHFFFAOYSA-N |
| Molecular Weight | 344.280 g/mol |
| SMILES | C(I)CC1=CC=C(C=C1)CCCCCCCC |