| SpectraBase Compound ID | EkV3XTM58S5 |
|---|---|
| InChI | InChI=1S/C20H35O3P/c1-4-6-8-9-10-11-12-16-22-24(21,17-7-5-2)23-20-15-13-14-19(3)18-20/h13-15,18H,4-12,16-17H2,1-3H3 |
| InChIKey | QCENLAPHGQRFNC-UHFFFAOYSA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C20H35O3P |
| Exact Mass | 354.232382 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Iz0jLby64RD |
|---|---|
| Name | Butylphosphonic acid, 3-methylphenyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.232381982 u |
| Formula | C20H35O3P |
| InChI | InChI=1S/C20H35O3P/c1-4-6-8-9-10-11-12-16-22-24(21,17-7-5-2)23-20-15-13-14-19(3)18-20/h13-15,18H,4-12,16-17H2,1-3H3 |
| InChIKey | QCENLAPHGQRFNC-UHFFFAOYSA-N |
| Molecular Weight | 354.471 g/mol |
| SMILES | C1=CC(=CC(=C1)OP(CCCC)(OCCCCCCCCC)=O)C |