![1-[3-Methyl-4-(1H-1-pyrazolyl)butyl]azepane](/api/spectrum/B1Gyd7MQhoN/structure.png?h=300&w=458 "1-[3-Methyl-4-(1H-1-pyrazolyl)butyl]azepane")
| SpectraBase Compound ID | IyLHFzC5jEA |
|---|---|
| InChI | InChI=1S/C14H25N3/c1-14(13-17-11-6-8-15-17)7-12-16-9-4-2-3-5-10-16/h6,8,11,14H,2-5,7,9-10,12-13H2,1H3 |
| InChIKey | DGTHUECKDJTEGY-UHFFFAOYSA-N |
| Mol Weight | 235.37 g/mol |
| Molecular Formula | C14H25N3 |
| Exact Mass | 235.204848 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 | B1Gyd7MQhoN |
|---|---|
| Name | 1-[3-Methyl-4-(1H-1-pyrazolyl)butyl]azepane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.204847817 u |
| Formula | C14H25N3 |
| InChI | InChI=1S/C14H25N3/c1-14(13-17-11-6-8-15-17)7-12-16-9-4-2-3-5-10-16/h6,8,11,14H,2-5,7,9-10,12-13H2,1H3 |
| InChIKey | DGTHUECKDJTEGY-UHFFFAOYSA-N |
| Molecular Weight | 235.375 g/mol |
| SMILES | C1=NN(C=C1)CC(CCN1CCCCCC1)C |