| SpectraBase Compound ID | HTXhgaVtRLF |
|---|---|
| InChI | InChI=1S/C14H28ClO3P/c1-3-5-11-19(16,17-10-4-2)18-12-13-8-6-7-9-14(13)15/h13-14H,3-12H2,1-2H3 |
| InChIKey | RPUTYOPBHMCEDU-UHFFFAOYSA-N |
| Mol Weight | 310.8 g/mol |
| Molecular Formula | C14H28ClO3P |
| Exact Mass | 310.146459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2NIqd4WNxN7 |
|---|---|
| Name | Butylphosphonic acid, 2-chlorocyclohexylmethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.146459457 u |
| Formula | C14H28ClO3P |
| InChI | InChI=1S/C14H28ClO3P/c1-3-5-11-19(16,17-10-4-2)18-12-13-8-6-7-9-14(13)15/h13-14H,3-12H2,1-2H3 |
| InChIKey | RPUTYOPBHMCEDU-UHFFFAOYSA-N |
| Molecular Weight | 310.802 g/mol |
| SMILES | CCCOP(CCCC)(=O)OCC1C(CCCC1)Cl |