| SpectraBase Compound ID | 6q3NnR8tfh7 |
|---|---|
| InChI | InChI=1S/C19H33O3P/c1-3-5-7-8-12-16-21-23(20,18-6-4-2)22-17-15-19-13-10-9-11-14-19/h9-11,13-14H,3-8,12,15-18H2,1-2H3 |
| InChIKey | ZVUDAPICKIYSMT-UHFFFAOYSA-N |
| Mol Weight | 340.4 g/mol |
| Molecular Formula | C19H33O3P |
| Exact Mass | 340.216732 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4MG8YMqtueA |
|---|---|
| Name | Butylphosphonic acid, heptyl 2-phenylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.216731918 u |
| Formula | C19H33O3P |
| InChI | InChI=1S/C19H33O3P/c1-3-5-7-8-12-16-21-23(20,18-6-4-2)22-17-15-19-13-10-9-11-14-19/h9-11,13-14H,3-8,12,15-18H2,1-2H3 |
| InChIKey | ZVUDAPICKIYSMT-UHFFFAOYSA-N |
| Molecular Weight | 340.444 g/mol |
| SMILES | C(COP(CCCC)(=O)OCCCCCCC)C1=CC=CC=C1 |