| SpectraBase Compound ID | CTGE5rSPxi2 |
|---|---|
| InChI | InChI=1S/C7H13N/c1-7(2,3)5-4-6-8/h4-5H2,1-3H3 |
| InChIKey | VXVUDUCBEZFQGY-UHFFFAOYSA-N |
| Mol Weight | 111.19 g/mol |
| Molecular Formula | C7H13N |
| Exact Mass | 111.104799 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AWc8nAib6Jm |
|---|---|
| Name | Pentanenitrile, 4,4-dimethyl- |
| CAS Registry Number | 15673-05-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H13N |
| InChI | InChI=1S/C7H13N/c1-7(2,3)5-4-6-8/h4-5H2,1-3H3 |
| InChIKey | VXVUDUCBEZFQGY-UHFFFAOYSA-N |
| Molecular Weight | 111.188 g/mol |
| SMILES | C(CCC(C)(C)C)#N |
| SPLASH | splash10-0a4j-9000000000-20a00603440a229724fc |
| Source of Spectrum | C-117-5971-3 |
| Synonyms | 4,4-Dimethylpentanenitrile 4,4-Dimethylvaleronitrile |
| Wiley ID | 759080 |