![2-[1-(4-Nitrophenyl)-1,2,3-triazol-4-yl]propan-2-ol](/api/spectrum/EtaHX0iWbwz/structure.png?h=300&w=458 "2-[1-(4-Nitrophenyl)-1,2,3-triazol-4-yl]propan-2-ol")
| SpectraBase Compound ID | 44fhPGBKYXN |
|---|---|
| InChI | InChI=1S/C11H12N4O3/c1-11(2,16)10-7-14(13-12-10)8-3-5-9(6-4-8)15(17)18/h3-7,16H,1-2H3 |
| InChIKey | BWDADZDXVSSGHX-UHFFFAOYSA-N |
| Mol Weight | 248.24 g/mol |
| Molecular Formula | C11H12N4O3 |
| Exact Mass | 248.09094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EtaHX0iWbwz |
|---|---|
| Name | 2-[1-(4-Nitrophenyl)-1,2,3-triazol-4-yl]propan-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.090940259 u |
| Formula | C11H12N4O3 |
| InChI | InChI=1S/C11H12N4O3/c1-11(2,16)10-7-14(13-12-10)8-3-5-9(6-4-8)15(17)18/h3-7,16H,1-2H3 |
| InChIKey | BWDADZDXVSSGHX-UHFFFAOYSA-N |
| SMILES | CC(C=1N=NN(C1)C1=CC=C(C=C1)N(=O)=O)(C)O |