| SpectraBase Compound ID | LMs0J1yP3gx |
|---|---|
| InChI | InChI=1S/C18H39O3P/c1-4-7-10-12-14-16-20-22(19,18-9-6-3)21-17-15-13-11-8-5-2/h4-18H2,1-3H3 |
| InChIKey | JYQKMYSCZNTIMA-UHFFFAOYSA-N |
| Mol Weight | 334.5 g/mol |
| Molecular Formula | C18H39O3P |
| Exact Mass | 334.263682 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 39Ea7XErKmu |
|---|---|
| Name | Butylphosphonic acid, diheptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.263682111 u |
| Formula | C18H39O3P |
| InChI | InChI=1S/C18H39O3P/c1-4-7-10-12-14-16-20-22(19,18-9-6-3)21-17-15-13-11-8-5-2/h4-18H2,1-3H3 |
| InChIKey | JYQKMYSCZNTIMA-UHFFFAOYSA-N |
| Molecular Weight | 334.481 g/mol |
| SMILES | C(COP(CCCC)(OCCCCCCC)=O)CCCCC |