| SpectraBase Compound ID | 90kG6sXtBjq |
|---|---|
| InChI | InChI=1S/C18H30BrO3P/c1-3-5-7-8-9-10-15-21-23(20,16-6-4-2)22-18-13-11-17(19)12-14-18/h11-14H,3-10,15-16H2,1-2H3 |
| InChIKey | LVYPVOVKIMDFKM-UHFFFAOYSA-N |
| Mol Weight | 405.31 g/mol |
| Molecular Formula | C18H30BrO3P |
| Exact Mass | 404.111595 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 61UF4vUh4lg |
|---|---|
| Name | Butylphosphonic acid, 4-bromophenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.111594821 u |
| Formula | C18H30BrO3P |
| InChI | InChI=1S/C18H30BrO3P/c1-3-5-7-8-9-10-15-21-23(20,16-6-4-2)22-18-13-11-17(19)12-14-18/h11-14H,3-10,15-16H2,1-2H3 |
| InChIKey | LVYPVOVKIMDFKM-UHFFFAOYSA-N |
| Molecular Weight | 405.313 g/mol |
| SMILES | C1(=CC=C(C=C1)Br)OP(CCCC)(=O)OCCCCCCCC |