| SpectraBase Compound ID | DwWtaf5hGiB |
|---|---|
| InChI | InChI=1S/C7H13N/c1-7(2)5-3-4-6-8/h7H,3-5H2,1-2H3 |
| InChIKey | CHWIKAJVZUSSML-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 | P6XSBU0AVV |
|---|---|
| Name | Hexanenitrile, 5-methyl- |
| CAS Registry Number | 19424-34-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H13N |
| InChI | InChI=1S/C7H13N/c1-7(2)5-3-4-6-8/h7H,3-5H2,1-2H3 |
| InChIKey | CHWIKAJVZUSSML-UHFFFAOYSA-N |
| Molecular Weight | 111.188 g/mol |
| SMILES | C(CCC#N)C(C)C |
| SPLASH | splash10-0006-9000000000-483cd5d6784278cabc66 |
| Source of Spectrum | W5-1989-50368-15168 |
| Synonyms | 5-Methylhexanenitrile |
| Wiley ID | 1122880 |