| SpectraBase Compound ID | 6pMhyG7p9AR |
|---|---|
| InChI | InChI=1S/C26H53O3P/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-23-28-30(27,24-6-4-2)29-25-26-21-18-17-19-22-26/h26H,3-25H2,1-2H3 |
| InChIKey | BOIZMWJXBKIILX-UHFFFAOYSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C26H53O3P |
| Exact Mass | 444.373233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CewG8bs3POi |
|---|---|
| Name | Butylphosphonic acid, cyclohexylmethyl pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 444.373232562 u |
| Formula | C26H53O3P |
| InChI | InChI=1S/C26H53O3P/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-23-28-30(27,24-6-4-2)29-25-26-21-18-17-19-22-26/h26H,3-25H2,1-2H3 |
| InChIKey | BOIZMWJXBKIILX-UHFFFAOYSA-N |
| Molecular Weight | 444.681 g/mol |
| SMILES | C(OP(CCCC)(OCCCCCCCCCCCCCCC)=O)C1CCCCC1 |