| SpectraBase Compound ID | 58OE8xr5P3Y |
|---|---|
| InChI | InChI=1S/C18H30NO5P/c1-3-5-7-8-9-10-14-23-25(22,15-6-4-2)24-18-13-11-12-17(16-18)19(20)21/h11-13,16H,3-10,14-15H2,1-2H3 |
| InChIKey | IGAUGEALBCPYQT-UHFFFAOYSA-N |
| Mol Weight | 371.41 g/mol |
| Molecular Formula | C18H30NO5P |
| Exact Mass | 371.18616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 54uu9HcFzaq |
|---|---|
| Name | Butylphosphonic acid, 3-nitrophenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 371.186160063 u |
| Formula | C18H30NO5P |
| InChI | InChI=1S/C18H30NO5P/c1-3-5-7-8-9-10-14-23-25(22,15-6-4-2)24-18-13-11-12-17(16-18)19(20)21/h11-13,16H,3-10,14-15H2,1-2H3 |
| InChIKey | IGAUGEALBCPYQT-UHFFFAOYSA-N |
| Molecular Weight | 371.414 g/mol |
| SMILES | C1=C(C=C(C=C1)N(=O)=O)OP(CCCC)(OCCCCCCCC)=O |