| SpectraBase Compound ID | AeCha3TLcAu |
|---|---|
| InChI | InChI=1S/C12H9ClN2O2/c13-11-1-2-12(15(16)17)10(8-11)7-9-3-5-14-6-4-9/h1-6,8H,7H2 |
| InChIKey | SIISIMNEEQXKJR-UHFFFAOYSA-N |
| Mol Weight | 248.67 g/mol |
| Molecular Formula | C12H9ClN2O2 |
| Exact Mass | 248.035255 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8GFyKPtyimG |
|---|---|
| Name | 4-(5-Chloro-2-nitrobenzyl)pyridine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H9ClN2O2 |
| InChI | InChI=1S/C12H9ClN2O2/c13-11-1-2-12(15(16)17)10(8-11)7-9-3-5-14-6-4-9/h1-6,8H,7H2 |
| InChIKey | SIISIMNEEQXKJR-UHFFFAOYSA-N |
| Molecular Weight | 248.669 g/mol |
| SMILES | c1cc(ccn1)Cc1c(ccc(c1)Cl)N(=O)=O |
| SPLASH | splash10-00ls-0980000000-e649fdf25c28c25685aa |
| Source of Spectrum | K1-2004-2124-13 |
| Wiley ID | 1560817 |