| SpectraBase Compound ID | 7eE58FPD83f |
|---|---|
| InChI | InChI=1S/C21H37O4P/c1-4-6-8-9-10-11-12-17-24-26(22,18-7-5-2)25-19-20-13-15-21(23-3)16-14-20/h13-16H,4-12,17-19H2,1-3H3 |
| InChIKey | USZBVSYISFSTEP-UHFFFAOYSA-N |
| Mol Weight | 384.5 g/mol |
| Molecular Formula | C21H37O4P |
| Exact Mass | 384.242947 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7wJ2B52YYDE |
|---|---|
| Name | Butylphosphonic acid, 4-methoxybenzyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.242946665 u |
| Formula | C21H37O4P |
| InChI | InChI=1S/C21H37O4P/c1-4-6-8-9-10-11-12-17-24-26(22,18-7-5-2)25-19-20-13-15-21(23-3)16-14-20/h13-16H,4-12,17-19H2,1-3H3 |
| InChIKey | USZBVSYISFSTEP-UHFFFAOYSA-N |
| Molecular Weight | 384.497 g/mol |
| SMILES | C(OP(CCCC)(=O)OCCCCCCCCC)C1=CC=C(C=C1)OC |