| SpectraBase Compound ID | Gaub4pN8ifq |
|---|---|
| InChI | InChI=1S/C14H22NO5P/c1-4-5-10-21(18,19-11-12(2)3)20-14-8-6-13(7-9-14)15(16)17/h6-9,12H,4-5,10-11H2,1-3H3 |
| InChIKey | WIFWMURQQSWWBR-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 | 1st75mrBJkk |
|---|---|
| Name | Butylphosphonic acid, isobutyl 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/c1-4-5-10-21(18,19-11-12(2)3)20-14-8-6-13(7-9-14)15(16)17/h6-9,12H,4-5,10-11H2,1-3H3 |
| InChIKey | WIFWMURQQSWWBR-UHFFFAOYSA-N |
| Molecular Weight | 315.306 g/mol |
| SMILES | C1=C(C=CC(=C1)N(=O)=O)OP(CCCC)(OCC(C)C)=O |