| SpectraBase Compound ID | KjopvKl5OE7 |
|---|---|
| InChI | InChI=1S/C21H46O6P2/c1-5-9-13-17-24-28(22,25-18-14-10-6-2)21-29(23,26-19-15-11-7-3)27-20-16-12-8-4/h5-21H2,1-4H3 |
| InChIKey | KINTZBMFUVCTNT-UHFFFAOYSA-N |
| Mol Weight | 456.5 g/mol |
| Molecular Formula | C21H46O6P2 |
| Exact Mass | 456.276963 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HFic3JWAErD |
|---|---|
| Name | Methylenebis(phosphonic acid), tetrapentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 456.276963191 u |
| Formula | C21H46O6P2 |
| InChI | InChI=1S/C21H46O6P2/c1-5-9-13-17-24-28(22,25-18-14-10-6-2)21-29(23,26-19-15-11-7-3)27-20-16-12-8-4/h5-21H2,1-4H3 |
| InChIKey | KINTZBMFUVCTNT-UHFFFAOYSA-N |
| Molecular Weight | 456.541 g/mol |
| SMILES | C(P(OCCCCC)(=O)OCCCCC)P(OCCCCC)(=O)OCCCCC |