| SpectraBase Compound ID | J5WTUp8NnBu |
|---|---|
| InChI | InChI=1S/C15H17N3O3/c1-10(19)17-14-8-7-12(18(20)21)9-13(14)16-15(17)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3 |
| InChIKey | JRJQVKVSYMDQDG-UHFFFAOYSA-N |
| Mol Weight | 287.32 g/mol |
| Molecular Formula | C15H17N3O3 |
| Exact Mass | 287.126991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K5G30C4G8yv |
|---|---|
| Name | 2-Cyclohexyl-5-nitro-1H-benzimidazole, N-acetyl (isomer 1) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.126991416 u |
| Formula | C15H17N3O3 |
| InChI | InChI=1S/C15H17N3O3/c1-10(19)17-14-8-7-12(18(20)21)9-13(14)16-15(17)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3 |
| InChIKey | JRJQVKVSYMDQDG-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=CC=2N=C(N(C2C=C1)C(=O)C)C1CCCCC1 |