| SpectraBase Compound ID | 6eCIABPgQZf |
|---|---|
| InChI | InChI=1S/C13H18N2/c1-3-4-9-15(10-8-14)13-7-5-6-12(2)11-13/h5-7,11H,3-4,9-10H2,1-2H3 |
| InChIKey | VYBMDSHUQWHVJZ-UHFFFAOYSA-N |
| Mol Weight | 202.3 g/mol |
| Molecular Formula | C13H18N2 |
| Exact Mass | 202.146999 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 | AmXtZ7o3grF |
|---|---|
| Name | 2-(Butyl(3-methylphenyl)amino)acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.146998588 u |
| Formula | C13H18N2 |
| InChI | InChI=1S/C13H18N2/c1-3-4-9-15(10-8-14)13-7-5-6-12(2)11-13/h5-7,11H,3-4,9-10H2,1-2H3 |
| InChIKey | VYBMDSHUQWHVJZ-UHFFFAOYSA-N |
| Molecular Weight | 202.301 g/mol |
| SMILES | C(CN(C=1C=C(C=CC1)C)CCCC)#N |