| SpectraBase Compound ID | DceXj1waUPG |
|---|---|
| InChI | InChI=1S/C18H31O3P/c1-4-6-7-11-15-20-22(19,18-13-9-8-10-14-18)21-16-17(3)12-5-2/h8-10,13-14,17H,4-7,11-12,15-16H2,1-3H3 |
| InChIKey | YUBDZYIPSUJKOQ-UHFFFAOYSA-N |
| Mol Weight | 326.42 g/mol |
| Molecular Formula | C18H31O3P |
| Exact Mass | 326.201082 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DDkBVCQhBSd |
|---|---|
| Name | Phenylphosphonic acid, hexyl 2-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.201081853 u |
| Formula | C18H31O3P |
| InChI | InChI=1S/C18H31O3P/c1-4-6-7-11-15-20-22(19,18-13-9-8-10-14-18)21-16-17(3)12-5-2/h8-10,13-14,17H,4-7,11-12,15-16H2,1-3H3 |
| InChIKey | YUBDZYIPSUJKOQ-UHFFFAOYSA-N |
| Molecular Weight | 326.417 g/mol |
| SMILES | CCCCCCOP(C1=CC=CC=C1)(=O)OCC(CCC)C |