| SpectraBase Compound ID | 8AxAEx407r1 |
|---|---|
| InChI | InChI=1S/C14H31O3P/c1-6-8-10-11-16-18(15,12-9-7-2)17-13-14(3,4)5/h6-13H2,1-5H3 |
| InChIKey | XYAGYBKCAYFFMQ-UHFFFAOYSA-N |
| Mol Weight | 278.37 g/mol |
| Molecular Formula | C14H31O3P |
| Exact Mass | 278.201082 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gixe15Ih21L |
|---|---|
| Name | Butylphosphonic acid, neopentyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.201081853 u |
| Formula | C14H31O3P |
| InChI | InChI=1S/C14H31O3P/c1-6-8-10-11-16-18(15,12-9-7-2)17-13-14(3,4)5/h6-13H2,1-5H3 |
| InChIKey | XYAGYBKCAYFFMQ-UHFFFAOYSA-N |
| Molecular Weight | 278.373 g/mol |
| SMILES | CCCCCOP(CCCC)(=O)OCC(C)(C)C |