| SpectraBase Compound ID | AiGpyO4bYsy |
|---|---|
| InChI | InChI=1S/C13H21O3P/c1-3-5-12-17(14,15-11-4-2)16-13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3 |
| InChIKey | MZGZLEFSLWJXMQ-UHFFFAOYSA-N |
| Mol Weight | 256.28 g/mol |
| Molecular Formula | C13H21O3P |
| Exact Mass | 256.122832 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KawZwfxM5xh |
|---|---|
| Name | Butylphosphonic acid, phenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.122831531 u |
| Formula | C13H21O3P |
| InChI | InChI=1S/C13H21O3P/c1-3-5-12-17(14,15-11-4-2)16-13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3 |
| InChIKey | MZGZLEFSLWJXMQ-UHFFFAOYSA-N |
| Molecular Weight | 256.282 g/mol |
| SMILES | CCCOP(CCCC)(=O)OC1=CC=CC=C1 |