| SpectraBase Compound ID | 1ID2rdspiK2 |
|---|---|
| InChI | InChI=1S/C18H31O4P/c1-4-6-8-9-10-15-21-23(19,16-7-5-2)22-18-13-11-17(20-3)12-14-18/h11-14H,4-10,15-16H2,1-3H3 |
| InChIKey | FWWOKZXGBDHHKS-UHFFFAOYSA-N |
| Mol Weight | 342.42 g/mol |
| Molecular Formula | C18H31O4P |
| Exact Mass | 342.195996 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KdBJjY1J3tR |
|---|---|
| Name | Butylphosphonic acid, heptyl 4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.195996472 u |
| Formula | C18H31O4P |
| InChI | InChI=1S/C18H31O4P/c1-4-6-8-9-10-15-21-23(19,16-7-5-2)22-18-13-11-17(20-3)12-14-18/h11-14H,4-10,15-16H2,1-3H3 |
| InChIKey | FWWOKZXGBDHHKS-UHFFFAOYSA-N |
| Molecular Weight | 342.416 g/mol |
| SMILES | C1(=CC=C(C=C1)OC)OP(CCCC)(OCCCCCCC)=O |