| SpectraBase Compound ID | 1gUJUBcVnRM |
|---|---|
| InChI | InChI=1S/C20H39O3P/c1-4-7-9-10-11-12-13-14-15-16-17-19-23-24(21,20-8-5-2)22-18-6-3/h4-15,18-20H2,1-3H3 |
| InChIKey | HBMWPCIBBOKQRP-UHFFFAOYSA-N |
| Mol Weight | 358.5 g/mol |
| Molecular Formula | C20H39O3P |
| Exact Mass | 358.263682 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EeppEQKfqyq |
|---|---|
| Name | Butylphosphonic acid, propyl tridec-2-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.263682111 u |
| Formula | C20H39O3P |
| InChI | InChI=1S/C20H39O3P/c1-4-7-9-10-11-12-13-14-15-16-17-19-23-24(21,20-8-5-2)22-18-6-3/h4-15,18-20H2,1-3H3 |
| InChIKey | HBMWPCIBBOKQRP-UHFFFAOYSA-N |
| Molecular Weight | 358.503 g/mol |
| SMILES | C(CC#CCOP(CCCC)(OCCC)=O)CCCCCCCC |