| SpectraBase Compound ID | FLy1Py7NF52 |
|---|---|
| InChI | InChI=1S/C16H27O3P/c1-5-7-13-20(17,18-12-6-2)19-16-11-9-8-10-15(16)14(3)4/h8-11,14H,5-7,12-13H2,1-4H3 |
| InChIKey | NUKZLXLVZCLVMJ-UHFFFAOYSA-N |
| Mol Weight | 298.36 g/mol |
| Molecular Formula | C16H27O3P |
| Exact Mass | 298.169782 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6fYkE6VCZiu |
|---|---|
| Name | Butylphosphonic acid, 2-isopropylphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.169781724 u |
| Formula | C16H27O3P |
| InChI | InChI=1S/C16H27O3P/c1-5-7-13-20(17,18-12-6-2)19-16-11-9-8-10-15(16)14(3)4/h8-11,14H,5-7,12-13H2,1-4H3 |
| InChIKey | NUKZLXLVZCLVMJ-UHFFFAOYSA-N |
| Molecular Weight | 298.363 g/mol |
| SMILES | C1(=CC=CC=C1C(C)C)OP(CCCC)(OCCC)=O |