| SpectraBase Compound ID | fYnKtZkEJ4 |
|---|---|
| InChI | InChI=1S/C21H41O3P/c1-5-7-9-10-11-12-13-14-15-16-17-18-23-25(22,19-8-6-2)24-20-21(3)4/h21H,5-15,18-20H2,1-4H3 |
| InChIKey | OAPSHRHIYDPKFR-UHFFFAOYSA-N |
| Mol Weight | 372.5 g/mol |
| Molecular Formula | C21H41O3P |
| Exact Mass | 372.279332 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GocDCqR0E53 |
|---|---|
| Name | Butylphosphonic acid, isobutyl tridec-2-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.279332175 u |
| Formula | C21H41O3P |
| InChI | InChI=1S/C21H41O3P/c1-5-7-9-10-11-12-13-14-15-16-17-18-23-25(22,19-8-6-2)24-20-21(3)4/h21H,5-15,18-20H2,1-4H3 |
| InChIKey | OAPSHRHIYDPKFR-UHFFFAOYSA-N |
| Molecular Weight | 372.530 g/mol |
| SMILES | C(CC#CCOP(CCCC)(OCC(C)C)=O)CCCCCCCC |