| SpectraBase Compound ID | Iu5pDnl2GTl |
|---|---|
| InChI | InChI=1S/C16H26BrO3P/c1-3-5-7-8-13-19-21(18,14-6-4-2)20-16-11-9-15(17)10-12-16/h9-12H,3-8,13-14H2,1-2H3 |
| InChIKey | BRBKXLMVOUUQEE-UHFFFAOYSA-N |
| Mol Weight | 377.26 g/mol |
| Molecular Formula | C16H26BrO3P |
| Exact Mass | 376.080295 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Sal7ybd4TT |
|---|---|
| Name | Butylphosphonic acid, 4-bromophenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.080294692 u |
| Formula | C16H26BrO3P |
| InChI | InChI=1S/C16H26BrO3P/c1-3-5-7-8-13-19-21(18,14-6-4-2)20-16-11-9-15(17)10-12-16/h9-12H,3-8,13-14H2,1-2H3 |
| InChIKey | BRBKXLMVOUUQEE-UHFFFAOYSA-N |
| Molecular Weight | 377.259 g/mol |
| SMILES | C1(=CC=C(C=C1)Br)OP(CCCC)(=O)OCCCCCC |