| SpectraBase Compound ID | LBBUVwPmtGA |
|---|---|
| InChI | InChI=1S/C18H30ClO3P/c1-3-5-7-8-9-10-15-21-23(20,16-6-4-2)22-18-13-11-17(19)12-14-18/h11-14H,3-10,15-16H2,1-2H3 |
| InChIKey | YFIFPGXKAGNVJX-UHFFFAOYSA-N |
| Mol Weight | 360.86 g/mol |
| Molecular Formula | C18H30ClO3P |
| Exact Mass | 360.16211 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jf5xNiZhpHC |
|---|---|
| Name | Butylphosphonic acid, 4-chlorophenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.162109521 u |
| Formula | C18H30ClO3P |
| InChI | InChI=1S/C18H30ClO3P/c1-3-5-7-8-9-10-15-21-23(20,16-6-4-2)22-18-13-11-17(19)12-14-18/h11-14H,3-10,15-16H2,1-2H3 |
| InChIKey | YFIFPGXKAGNVJX-UHFFFAOYSA-N |
| Molecular Weight | 360.862 g/mol |
| SMILES | CCCCCCCCOP(CCCC)(=O)OC1=CC=C(C=C1)Cl |