| SpectraBase Compound ID | 9wZLUsiMb1I |
|---|---|
| InChI | InChI=1S/C25H30BrP/c1-2-3-4-5-15-22-27(26,23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25/h6-14,16-21H,2-5,15,22H2,1H3 |
| InChIKey | GTNQYWUKKZGRNM-UHFFFAOYSA-N |
| Mol Weight | 441.39 g/mol |
| Molecular Formula | C25H30BrP |
| Exact Mass | 440.126851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4RTzvAZBUlz |
|---|---|
| Name | N-Heptyltriphenylphosphonium bromide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 440.126850964 u |
| Formula | C25H30BrP |
| InChI | InChI=1S/C25H30BrP/c1-2-3-4-5-15-22-27(26,23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25/h6-14,16-21H,2-5,15,22H2,1H3 |
| InChIKey | GTNQYWUKKZGRNM-UHFFFAOYSA-N |
| Molecular Weight | 441.393 g/mol |
| SMILES | CCCCCCCP(C=1C=CC=CC1)(C=1C=CC=CC1)(Br)C1=CC=CC=C1 |