| SpectraBase Compound ID | BZ592DBKqy0 |
|---|---|
| InChI | InChI=1S/C8H19NO6P2/c10-16(11,12)8(17(13,14)15)9-7-5-3-1-2-4-6-7/h7-9H,1-6H2,(H2,10,11,12)(H2,13,14,15) |
| InChIKey | LWRDQHOZTAOILO-UHFFFAOYSA-N |
| Mol Weight | 287.19 g/mol |
| Molecular Formula | C8H19NO6P2 |
| Exact Mass | 287.068761 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IyXF83pIPp7 |
|---|---|
| Name | Cycloheptyl-aminomethylenebisphosphonic-acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.068761326 u |
| Formula | C8H19NO6P2 |
| InChI | InChI=1S/C8H19NO6P2/c10-16(11,12)8(17(13,14)15)9-7-5-3-1-2-4-6-7/h7-9H,1-6H2,(H2,10,11,12)(H2,13,14,15) |
| InChIKey | LWRDQHOZTAOILO-UHFFFAOYSA-N |
| Molecular Weight | 287.189 g/mol |
| Nominal Mass | 287 u |
| SMILES | C(P(=O)(O)O)(P(=O)(O)O)NC1CCCCCC1 |