| SpectraBase Compound ID | 7nXqr7qEr1r |
|---|---|
| InChI | InChI=1S/C18H23N3O2/c1-13-11-14(2)20-18(19-13)21-16-9-6-8-15(12-16)7-4-3-5-10-17(22)23/h6,8-9,11-12H,3-5,7,10H2,1-2H3,(H,22,23)(H,19,20,21) |
| InChIKey | CDPFGCFGUUHTKB-UHFFFAOYSA-N |
| Mol Weight | 313.4 g/mol |
| Molecular Formula | C18H23N3O2 |
| Exact Mass | 313.179027 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9tIzPYaRXfS |
|---|---|
| Name | 6-(3-((4,6-dimethylpyrimidin-2-yl)amino)phenyl)hexanoic acid |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H23N3O2 |
| InChI | InChI=1S/C18H23N3O2/c1-13-11-14(2)20-18(19-13)21-16-9-6-8-15(12-16)7-4-3-5-10-17(22)23/h6,8-9,11-12H,3-5,7,10H2,1-2H3,(H,22,23)(H,19,20,21) |
| InChIKey | CDPFGCFGUUHTKB-UHFFFAOYSA-N |
| Ionization Type | EI |
| Molecular Weight | 313.401 g/mol |
| Reported Formula | C18H23N3O2 |
| SMILES | N(c1nc(cc(C)n1)C)c1cc(CCCCCC(=O)O)ccc1 |
| SPLASH | splash10-03k9-4094000000-8754030fea57ba73f4d2 |
| Source of Spectrum | ES2421056B1 |
| Wiley ID | 1852467 |