| SpectraBase Compound ID | 320CWx03JqV |
|---|---|
| InChI | InChI=1S/C13H9NO4/c15-12(16)10-4-2-1-3-8(10)9-5-6-14-7-11(9)13(17)18/h1-7H,(H,15,16)(H,17,18) |
| InChIKey | QQABYPFBJMLCKT-UHFFFAOYSA-N |
| Mol Weight | 243.22 g/mol |
| Molecular Formula | C13H9NO4 |
| Exact Mass | 243.053158 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EBNeiHFGxWg |
|---|---|
| Name | 4-(4'-Nicotinyl)benzoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H9NO4 |
| InChI | InChI=1S/C13H9NO4/c15-12(16)10-4-2-1-3-8(10)9-5-6-14-7-11(9)13(17)18/h1-7H,(H,15,16)(H,17,18) |
| InChIKey | QQABYPFBJMLCKT-UHFFFAOYSA-N |
| Molecular Weight | 243.218 g/mol |
| SMILES | OC(c1c(-c2c(C(=O)O)cncc2)cccc1)=O |
| SPLASH | splash10-0002-0910000000-ca8b229fcc147f5bd23b |
| Source of Spectrum | QA-38-48-8 |
| Wiley ID | 861273 |