![2-Isobutyl-5-(2-nitro-phenyl)-[1,3,4]oxadiazole](/api/spectrum/EXKIg3Rxtfr/structure.png?h=300&w=458 "2-Isobutyl-5-(2-nitro-phenyl)-[1,3,4]oxadiazole")
| SpectraBase Compound ID | GEdvhtflWzd |
|---|---|
| InChI | InChI=1S/C12H13N3O3/c1-8(2)7-11-13-14-12(18-11)9-5-3-4-6-10(9)15(16)17/h3-6,8H,7H2,1-2H3 |
| InChIKey | NQEZNXVIWRMRBR-UHFFFAOYSA-N |
| Mol Weight | 247.25 g/mol |
| Molecular Formula | C12H13N3O3 |
| Exact Mass | 247.095691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EXKIg3Rxtfr |
|---|---|
| Name | 2-Isobutyl-5-(2-nitro-phenyl)-[1,3,4]oxadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.095691288 u |
| Formula | C12H13N3O3 |
| InChI | InChI=1S/C12H13N3O3/c1-8(2)7-11-13-14-12(18-11)9-5-3-4-6-10(9)15(16)17/h3-6,8H,7H2,1-2H3 |
| InChIKey | NQEZNXVIWRMRBR-UHFFFAOYSA-N |
| Molecular Weight | 247.254 g/mol |
| SMILES | C1(=NN=C(O1)CC(C)C)C=1C(N(=O)=O)=CC=CC1 |