| SpectraBase Compound ID | 6YKDKNNW0yB |
|---|---|
| InChI | InChI=1S/C20H35O3P/c1-5-7-9-10-13-16-22-24(21,17-8-6-2)23-20-15-12-11-14-19(20)18(3)4/h11-12,14-15,18H,5-10,13,16-17H2,1-4H3 |
| InChIKey | QWNQYOYDDHEJFT-UHFFFAOYSA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C20H35O3P |
| Exact Mass | 354.232382 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J3jRSr8cv5X |
|---|---|
| Name | Butylphosphonic acid, heptyl 2-isopropylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.232381982 u |
| Formula | C20H35O3P |
| InChI | InChI=1S/C20H35O3P/c1-5-7-9-10-13-16-22-24(21,17-8-6-2)23-20-15-12-11-14-19(20)18(3)4/h11-12,14-15,18H,5-10,13,16-17H2,1-4H3 |
| InChIKey | QWNQYOYDDHEJFT-UHFFFAOYSA-N |
| Molecular Weight | 354.471 g/mol |
| SMILES | CCCCCCCOP(OC1=CC=CC=C1C(C)C)(CCCC)=O |