| SpectraBase Compound ID | Iyj0fP26RiM |
|---|---|
| InChI | InChI=1S/C8H11O3P/c1-7-4-2-3-5-8(7)6-12(9,10)11/h2-5H,6H2,1H3,(H2,9,10,11) |
| InChIKey | LGLVXZBJGHANDM-UHFFFAOYSA-N |
| Mol Weight | 186.15 g/mol |
| Molecular Formula | C8H11O3P |
| Exact Mass | 186.044581 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 17KT7XkpxIk |
|---|---|
| Name | 2-Methylbenzylphosphonic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.044581209 u |
| Formula | C8H11O3P |
| InChI | InChI=1S/C8H11O3P/c1-7-4-2-3-5-8(7)6-12(9,10)11/h2-5H,6H2,1H3,(H2,9,10,11) |
| InChIKey | LGLVXZBJGHANDM-UHFFFAOYSA-N |
| Molecular Weight | 186.147 g/mol |
| SMILES | OP(CC1=C(C=CC=C1)C)(O)=O |