| SpectraBase Compound ID | D4ksyMuuaFi |
|---|---|
| InChI | InChI=1S/C16H26NO5P/c1-4-5-13-23(20,21-12-6-7-14(2)3)22-16-10-8-15(9-11-16)17(18)19/h8-11,14H,4-7,12-13H2,1-3H3 |
| InChIKey | XJIKBVCTGSQHAP-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 | A3nxVJmZghO |
|---|---|
| Name | Butylphosphonic acid, isohexyl 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/c1-4-5-13-23(20,21-12-6-7-14(2)3)22-16-10-8-15(9-11-16)17(18)19/h8-11,14H,4-7,12-13H2,1-3H3 |
| InChIKey | XJIKBVCTGSQHAP-UHFFFAOYSA-N |
| Molecular Weight | 343.360 g/mol |
| SMILES | C(COP(CCCC)(=O)OC1=CC=C(C=C1)N(=O)=O)CC(C)C |