| SpectraBase Compound ID | lVU6gD2d90 |
|---|---|
| InChI | InChI=1S/C6H16O8P2/c7-5(15(9,10)11)3-1-2-4-6(8)16(12,13)14/h5-8H,1-4H2,(H2,9,10,11)(H2,12,13,14) |
| InChIKey | NOFVTKWXSOOINU-UHFFFAOYSA-N |
| Mol Weight | 278.13 g/mol |
| Molecular Formula | C6H16O8P2 |
| Exact Mass | 278.032041 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KtT5Cal7wJt |
|---|---|
| Name | 1,6-Dihydroxyhexane-1,6-bisphosphonic-acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.032041463 u |
| Formula | C6H16O8P2 |
| InChI | InChI=1S/C6H16O8P2/c7-5(15(9,10)11)3-1-2-4-6(8)16(12,13)14/h5-8H,1-4H2,(H2,9,10,11)(H2,12,13,14) |
| InChIKey | NOFVTKWXSOOINU-UHFFFAOYSA-N |
| Molecular Weight | 278.134 g/mol |
| Nominal Mass | 278 u |
| SMILES | C(O)(CCCCC(O)P(=O)(O)O)P(=O)(O)O |