| SpectraBase Compound ID | KZrsaToxS8h |
|---|---|
| InChI | InChI=1S/C18H30IN/c1-3-5-7-9-15-20(16-10-8-6-4-2)18-13-11-17(19)12-14-18/h11-14H,3-10,15-16H2,1-2H3 |
| InChIKey | GHTRYGWOSLLAQG-UHFFFAOYSA-N |
| Mol Weight | 387.35 g/mol |
| Molecular Formula | C18H30IN |
| Exact Mass | 387.142295 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BYJzD8iYqsz |
|---|---|
| Name | N,N-Dihexyl-4-iodoaniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 387.142294970 u |
| Formula | C18H30IN |
| InChI | InChI=1S/C18H30IN/c1-3-5-7-9-15-20(16-10-8-6-4-2)18-13-11-17(19)12-14-18/h11-14H,3-10,15-16H2,1-2H3 |
| InChIKey | GHTRYGWOSLLAQG-UHFFFAOYSA-N |
| Molecular Weight | 387.349 g/mol |
| SMILES | C=1(N(CCCCCC)CCCCCC)C=CC(=CC1)I |