| SpectraBase Compound ID | 3X0yEQzjv2E |
|---|---|
| InChI | InChI=1S/C14H18N2O2/c1-2-10-16-12-7-4-3-6-11(12)15-13(16)8-5-9-14(17)18/h3-4,6-7H,2,5,8-10H2,1H3,(H,17,18) |
| InChIKey | PIJRCJSADATLRV-UHFFFAOYSA-N |
| Mol Weight | 246.31 g/mol |
| Molecular Formula | C14H18N2O2 |
| Exact Mass | 246.136828 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6IFEWuUvVZb |
|---|---|
| Name | 4-(1-Propyl-1,3-benzodiazol-2-yl)butanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.136827826 u |
| Formula | C14H18N2O2 |
| InChI | InChI=1S/C14H18N2O2/c1-2-10-16-12-7-4-3-6-11(12)15-13(16)8-5-9-14(17)18/h3-4,6-7H,2,5,8-10H2,1H3,(H,17,18) |
| InChIKey | PIJRCJSADATLRV-UHFFFAOYSA-N |
| Molecular Weight | 246.310 g/mol |
| SMILES | CCCN1C(=NC2=CC=CC=C12)CCCC(=O)O |