| SpectraBase Compound ID | 7kn7WRfaEoe |
|---|---|
| InChI | InChI=1S/C14H13NO2/c1-10-3-4-11(2)14(9-10)12-5-7-13(8-6-12)15(16)17/h3-9H,1-2H3 |
| InChIKey | RHLFUEGPBSAOAW-UHFFFAOYSA-N |
| Mol Weight | 227.26 g/mol |
| Molecular Formula | C14H13NO2 |
| Exact Mass | 227.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3mBxBs2rDat |
|---|---|
| Name | 1,1'-Biphenyl, 2,5-dimethyl-4'-nitro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.094628661 u |
| Formula | C14H13NO2 |
| InChI | InChI=1S/C14H13NO2/c1-10-3-4-11(2)14(9-10)12-5-7-13(8-6-12)15(16)17/h3-9H,1-2H3 |
| InChIKey | RHLFUEGPBSAOAW-UHFFFAOYSA-N |
| Molecular Weight | 227.263 g/mol |
| SMILES | CC1=C(C=C(C=C1)C)C1=CC=C(C=C1)N(=O)=O |