| SpectraBase Compound ID | Jl5TE3Ellhf |
|---|---|
| InChI | InChI=1S/C13H11N5O2/c1-20-13(19)11-8-18(17-15-11)12-7-10(14-16-12)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,16) |
| InChIKey | GBTPSHGKZQKRSF-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 | AvZAVD54Hj4 |
|---|---|
| Name | 1-(5-Phenyl-1H-pyrazol-3-yl)-4-triazolecarboxylic acid methyl ester |
| 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/c1-20-13(19)11-8-18(17-15-11)12-7-10(14-16-12)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,16) |
| InChIKey | GBTPSHGKZQKRSF-UHFFFAOYSA-N |
| SMILES | C1(N2N=NC(=C2)C(=O)OC)=CC(C=2C=CC=CC2)=NN1 |