| SpectraBase Compound ID | CzNoTBMHWPh |
|---|---|
| InChI | InChI=1S/C14H22BrO3P/c1-3-5-11-17-19(16,12-6-4-2)18-14-9-7-13(15)8-10-14/h7-10H,3-6,11-12H2,1-2H3 |
| InChIKey | CRNIEIAFYUDOLG-UHFFFAOYSA-N |
| Mol Weight | 349.2 g/mol |
| Molecular Formula | C14H22BrO3P |
| Exact Mass | 348.048995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H7jG6DYZKIC |
|---|---|
| Name | Butylphosphonic acid, 4-bromophenyl butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.048994563 u |
| Formula | C14H22BrO3P |
| InChI | InChI=1S/C14H22BrO3P/c1-3-5-11-17-19(16,12-6-4-2)18-14-9-7-13(15)8-10-14/h7-10H,3-6,11-12H2,1-2H3 |
| InChIKey | CRNIEIAFYUDOLG-UHFFFAOYSA-N |
| Molecular Weight | 349.205 g/mol |
| SMILES | C1(=CC=C(C=C1)Br)OP(=O)(OCCCC)CCCC |