| SpectraBase Compound ID | K1bs4c0FBu5 |
|---|---|
| InChI | InChI=1S/C11H12ClN3O3/c12-5-1-2-6-14-10-4-3-8(15(17)18)7-9(10)11(16)13-14/h3-4,7H,1-2,5-6H2,(H,13,16) |
| InChIKey | OMCZPYQFDCUTES-UHFFFAOYSA-N |
| Mol Weight | 269.69 g/mol |
| Molecular Formula | C11H12ClN3O3 |
| Exact Mass | 269.056719 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KMLlXlTG6kB |
|---|---|
| Name | 1-(4-Chloranylbutyl)-5-nitro-2H-indazol-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.056718955 u |
| Formula | C11H12ClN3O3 |
| InChI | InChI=1S/C11H12ClN3O3/c12-5-1-2-6-14-10-4-3-8(15(17)18)7-9(10)11(16)13-14/h3-4,7H,1-2,5-6H2,(H,13,16) |
| InChIKey | OMCZPYQFDCUTES-UHFFFAOYSA-N |
| SMILES | C1=2C(=NN(C2C=CC(N(=O)=O)=C1)CCCCCl)O |