| SpectraBase Compound ID | 7mNS2CyWknX |
|---|---|
| InChI | InChI=1S/C12H27O3P/c1-6-8-10-16(13,14-9-7-2)15-11-12(3,4)5/h6-11H2,1-5H3 |
| InChIKey | GMCAHWPWXMUWSO-UHFFFAOYSA-N |
| Mol Weight | 250.32 g/mol |
| Molecular Formula | C12H27O3P |
| Exact Mass | 250.169782 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2NNb3Ctq5rm |
|---|---|
| Name | Butylphosphonic acid, neopentyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.169781724 u |
| Formula | C12H27O3P |
| InChI | InChI=1S/C12H27O3P/c1-6-8-10-16(13,14-9-7-2)15-11-12(3,4)5/h6-11H2,1-5H3 |
| InChIKey | GMCAHWPWXMUWSO-UHFFFAOYSA-N |
| Molecular Weight | 250.319 g/mol |
| SMILES | CCCOP(CCCC)(=O)OCC(C)(C)C |