| SpectraBase Compound ID | 4X1JEImWAvK |
|---|---|
| InChI | InChI=1S/C12H12N2/c1-12(2,3)11-5-4-9(7-13)6-10(11)8-14/h4-6H,1-3H3 |
| InChIKey | QHNXAXWEDVRXKY-UHFFFAOYSA-N |
| Mol Weight | 184.24 g/mol |
| Molecular Formula | C12H12N2 |
| Exact Mass | 184.100048 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HDh6Bq4tQpr |
|---|---|
| Name | 4-tert-Butylisophthalonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H12N2 |
| InChI | InChI=1S/C12H12N2/c1-12(2,3)11-5-4-9(7-13)6-10(11)8-14/h4-6H,1-3H3 |
| InChIKey | QHNXAXWEDVRXKY-UHFFFAOYSA-N |
| Molecular Weight | 184.242 g/mol |
| SMILES | c1(c(ccc(C#N)c1)C(C)(C)C)C#N |
| SPLASH | splash10-014i-0900000000-2caae1b504d3f49bfa03 |
| Source of Spectrum | J-63-9959-6 |
| Wiley ID | 1181248 |