| SpectraBase Compound ID | 9uh7Eouv6yc |
|---|---|
| InChI | InChI=1S/C17H28BrN/c1-3-5-6-7-14-19(13-4-2)15-12-16-8-10-17(18)11-9-16/h8-11H,3-7,12-15H2,1-2H3 |
| InChIKey | YUSZROXTEDMPJF-UHFFFAOYSA-N |
| Mol Weight | 326.32 g/mol |
| Molecular Formula | C17H28BrN |
| Exact Mass | 325.140513 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5SsOXlBci6Z |
|---|---|
| Name | N-Hexyl-N-propyl-4-bromophenethylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.140512906 u |
| Formula | C17H28BrN |
| InChI | InChI=1S/C17H28BrN/c1-3-5-6-7-14-19(13-4-2)15-12-16-8-10-17(18)11-9-16/h8-11H,3-7,12-15H2,1-2H3 |
| InChIKey | YUSZROXTEDMPJF-UHFFFAOYSA-N |
| Molecular Weight | 326.322 g/mol |
| SMILES | C1(CCN(CCCCCC)CCC)=CC=C(C=C1)Br |