| SpectraBase Compound ID | AoQKS9oniCQ |
|---|---|
| InChI | InChI=1S/C13H14N2/c1-9-11-6-10(7-14)4-5-12(11)13(2,3)8-15-9/h4-6H,8H2,1-3H3 |
| InChIKey | KDUBQMODOYOJCY-UHFFFAOYSA-N |
| Mol Weight | 198.27 g/mol |
| Molecular Formula | C13H14N2 |
| Exact Mass | 198.115698 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ET4nVKwO6x9 |
|---|---|
| Name | 1,4,4-trimethyl-3H-isoquinoline-7-carbonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H14N2 |
| InChI | InChI=1S/C13H14N2/c1-9-11-6-10(7-14)4-5-12(11)13(2,3)8-15-9/h4-6H,8H2,1-3H3 |
| InChIKey | KDUBQMODOYOJCY-UHFFFAOYSA-N |
| Molecular Weight | 198.269 g/mol |
| SMILES | c12c(C(C)(C)CN=C2C)ccc(C#N)c1 |
| SPLASH | splash10-000t-1900000000-2e8b255cb38e26ba48ec |
| Source of Spectrum | J-62-8438-6 |
| Wiley ID | 1196149 |