| SpectraBase Compound ID | 9woinF8eISM |
|---|---|
| InChI | InChI=1S/C14H22NO5P/c1-3-5-11-19-21(18,12-6-4-2)20-14-9-7-13(8-10-14)15(16)17/h7-10H,3-6,11-12H2,1-2H3 |
| InChIKey | PCXYZTFOYPFJFD-UHFFFAOYSA-N |
| Mol Weight | 315.31 g/mol |
| Molecular Formula | C14H22NO5P |
| Exact Mass | 315.12356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4iOOmCy1z0q |
|---|---|
| Name | Butylphosphonic acid, butyl 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.123559805 u |
| Formula | C14H22NO5P |
| InChI | InChI=1S/C14H22NO5P/c1-3-5-11-19-21(18,12-6-4-2)20-14-9-7-13(8-10-14)15(16)17/h7-10H,3-6,11-12H2,1-2H3 |
| InChIKey | PCXYZTFOYPFJFD-UHFFFAOYSA-N |
| Molecular Weight | 315.306 g/mol |
| SMILES | CCCCOP(CCCC)(=O)OC1=CC=C(C=C1)N(=O)=O |