| SpectraBase Compound ID | 2j90EbgJRmp |
|---|---|
| InChI | InChI=1S/C16H35O3P/c1-6-8-10-11-12-13-18-20(17,14-9-7-2)19-15-16(3,4)5/h6-15H2,1-5H3 |
| InChIKey | FQDIBDXDCYEBAS-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C16H35O3P |
| Exact Mass | 306.232382 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KHX2x2lFoFR |
|---|---|
| Name | Butylphosphonic acid, heptyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.232381982 u |
| Formula | C16H35O3P |
| InChI | InChI=1S/C16H35O3P/c1-6-8-10-11-12-13-18-20(17,14-9-7-2)19-15-16(3,4)5/h6-15H2,1-5H3 |
| InChIKey | FQDIBDXDCYEBAS-UHFFFAOYSA-N |
| Molecular Weight | 306.427 g/mol |
| SMILES | C(OP(CCCC)(OCCCCCCC)=O)C(C)(C)C |