| SpectraBase Compound ID | 4TADNxEaZzC |
|---|---|
| InChI | InChI=1S/C13H11N5O2/c1-8(13(19)20)12-15-16-17-18(12)11-7-6-9-4-2-3-5-10(9)14-11/h2-8H,1H3,(H,19,20) |
| InChIKey | XOTSTUADHLZLEN-UHFFFAOYSA-N |
| Mol Weight | 269.26 g/mol |
| Molecular Formula | C13H11N5O2 |
| Exact Mass | 269.091275 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kgm2KdNWfrP |
|---|---|
| Name | 2-(1-Quinolin-2-yltetrazol-5-yl)propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.091274612 u |
| Formula | C13H11N5O2 |
| InChI | InChI=1S/C13H11N5O2/c1-8(13(19)20)12-15-16-17-18(12)11-7-6-9-4-2-3-5-10(9)14-11/h2-8H,1H3,(H,19,20) |
| InChIKey | XOTSTUADHLZLEN-UHFFFAOYSA-N |
| SMILES | C=1(N(N=NN1)C1=NC2=CC=CC=C2C=C1)C(C(=O)O)C |