| SpectraBase Compound ID | 3rGQluT60B2 |
|---|---|
| InChI | InChI=1S/C17H27O5P/c1-4-6-13-20-23(19,21-14-7-5-2)17(22-15(3)18)16-11-9-8-10-12-16/h8-12,17H,4-7,13-14H2,1-3H3 |
| InChIKey | KNZOZGURUPBXOR-UHFFFAOYSA-N |
| Mol Weight | 342.37 g/mol |
| Molecular Formula | C17H27O5P |
| Exact Mass | 342.159611 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E3YAIGzW6il |
|---|---|
| Name | Dibutyl hydroxy(phenyl)methylphosphonate, ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.159610962 u |
| Formula | C17H27O5P |
| InChI | InChI=1S/C17H27O5P/c1-4-6-13-20-23(19,21-14-7-5-2)17(22-15(3)18)16-11-9-8-10-12-16/h8-12,17H,4-7,13-14H2,1-3H3 |
| InChIKey | KNZOZGURUPBXOR-UHFFFAOYSA-N |
| Molecular Weight | 342.372 g/mol |
| SMILES | C(C1=CC=CC=C1)(OC(C)=O)P(OCCCC)(OCCCC)=O |