| SpectraBase Compound ID | 31mjW9vVStx |
|---|---|
| InChI | InChI=1S/C9H12NO5P/c1-14-16(13,15-2)7-8-3-5-9(6-4-8)10(11)12/h3-6H,7H2,1-2H3 |
| InChIKey | XTALDGGTSYAYQI-UHFFFAOYSA-N |
| Mol Weight | 245.17 g/mol |
| Molecular Formula | C9H12NO5P |
| Exact Mass | 245.045309 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5RfHMwl32bM |
|---|---|
| Name | 1-(Dimethoxyphosphorylmethyl)-4-nitro-benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.045309483 u |
| Formula | C9H12NO5P |
| InChI | InChI=1S/C9H12NO5P/c1-14-16(13,15-2)7-8-3-5-9(6-4-8)10(11)12/h3-6H,7H2,1-2H3 |
| InChIKey | XTALDGGTSYAYQI-UHFFFAOYSA-N |
| Molecular Weight | 245.171 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(CP(=O)(OC)OC)C=C1 |