| SpectraBase Compound ID | 2L495udmAAQ |
|---|---|
| InChI | InChI=1S/C16H26NO5P/c1-3-5-7-8-13-21-23(20,14-6-4-2)22-16-11-9-15(10-12-16)17(18)19/h9-12H,3-8,13-14H2,1-2H3 |
| InChIKey | SFABAXAIRBESDV-UHFFFAOYSA-N |
| Mol Weight | 343.36 g/mol |
| Molecular Formula | C16H26NO5P |
| Exact Mass | 343.15486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Qe3ZCzMFVj |
|---|---|
| Name | Butylphosphonic acid, hexyl 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.154859934 u |
| Formula | C16H26NO5P |
| InChI | InChI=1S/C16H26NO5P/c1-3-5-7-8-13-21-23(20,14-6-4-2)22-16-11-9-15(10-12-16)17(18)19/h9-12H,3-8,13-14H2,1-2H3 |
| InChIKey | SFABAXAIRBESDV-UHFFFAOYSA-N |
| Molecular Weight | 343.360 g/mol |
| SMILES | CCCCCCOP(CCCC)(=O)OC1=CC=C(C=C1)N(=O)=O |