| SpectraBase Compound ID | FxwckbE3CDT |
|---|---|
| InChI | InChI=1S/C15H20N2O2/c1-2-11-17-13-8-4-3-7-12(13)16-14(17)9-5-6-10-15(18)19/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,18,19) |
| InChIKey | XKFASAOLFALDDR-UHFFFAOYSA-N |
| Mol Weight | 260.34 g/mol |
| Molecular Formula | C15H20N2O2 |
| Exact Mass | 260.152478 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DIXVvJ0TKno |
|---|---|
| Name | 5-(1-Propyl-1,3-benzodiazol-2-yl)pentanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.152477890 u |
| Formula | C15H20N2O2 |
| InChI | InChI=1S/C15H20N2O2/c1-2-11-17-13-8-4-3-7-12(13)16-14(17)9-5-6-10-15(18)19/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,18,19) |
| InChIKey | XKFASAOLFALDDR-UHFFFAOYSA-N |
| Molecular Weight | 260.337 g/mol |
| SMILES | C(CC=1N(CCC)C=2C(=CC=CC2)N1)CCC(=O)O |