| SpectraBase Compound ID | 3kMyeiC2kC1 |
|---|---|
| InChI | InChI=1S/C10H12N2/c1-12(2)8-10-5-3-4-9(6-10)7-11/h3-6H,8H2,1-2H3 |
| InChIKey | CWBMFVGIEVNOTQ-UHFFFAOYSA-N |
| Mol Weight | 160.22 g/mol |
| Molecular Formula | C10H12N2 |
| Exact Mass | 160.100048 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IwqxiZv3bhJ |
|---|---|
| Name | 3-((Dimethylamino)methyl)benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.100048394 u |
| Formula | C10H12N2 |
| InChI | InChI=1S/C10H12N2/c1-12(2)8-10-5-3-4-9(6-10)7-11/h3-6H,8H2,1-2H3 |
| InChIKey | CWBMFVGIEVNOTQ-UHFFFAOYSA-N |
| Molecular Weight | 160.220 g/mol |
| SMILES | CN(C)CC=1C=C(C=CC1)C#N |