| SpectraBase Compound ID | VRM0SHHzE5 |
|---|---|
| InChI | InChI=1S/C18H39O3P/c1-5-7-9-10-11-12-15-20-22(19,17-8-6-2)21-16-13-14-18(3)4/h18H,5-17H2,1-4H3 |
| InChIKey | XUETVPYMVQUQNI-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 | CoSTLIGBeWM |
|---|---|
| Name | Butylphosphonic acid, isohexyl octyl 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/c1-5-7-9-10-11-12-15-20-22(19,17-8-6-2)21-16-13-14-18(3)4/h18H,5-17H2,1-4H3 |
| InChIKey | XUETVPYMVQUQNI-UHFFFAOYSA-N |
| Molecular Weight | 334.481 g/mol |
| SMILES | CCCCCCCCOP(CCCC)(=O)OCCCC(C)C |