| SpectraBase Compound ID | 4D2rZyu5JFQ |
|---|---|
| InChI | InChI=1S/C14H23NO7P2/c16-14(23(17,18)19,24(20,21)22)8-11-15-9-6-13(7-10-15)12-4-2-1-3-5-12/h1-5,13,16H,6-11H2,(H2,17,18,19)(H2,20,21,22) |
| InChIKey | PIYGVGXHYJSOMN-UHFFFAOYSA-N |
| Mol Weight | 379.29 g/mol |
| Molecular Formula | C14H23NO7P2 |
| Exact Mass | 379.094976 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Juueb3GWvyi |
|---|---|
| Name | 1-Hydroxy-3-(4-phenylpiperidine-1-yl)-propylidene-1,1-bisphosphonic-acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 379.094976074 u |
| Formula | C14H23NO7P2 |
| InChI | InChI=1S/C14H23NO7P2/c16-14(23(17,18)19,24(20,21)22)8-11-15-9-6-13(7-10-15)12-4-2-1-3-5-12/h1-5,13,16H,6-11H2,(H2,17,18,19)(H2,20,21,22) |
| InChIKey | PIYGVGXHYJSOMN-UHFFFAOYSA-N |
| Molecular Weight | 379.286 g/mol |
| Nominal Mass | 379 u |
| SMILES | C(O)(P(=O)(O)O)(P(=O)(O)O)CCN1CCC(CC1)C1=CC=CC=C1 |