| SpectraBase Compound ID | IXlir0LJmTr |
|---|---|
| InChI | InChI=1S/C7H13N/c1-3-4-7(2)5-6-8/h7H,3-5H2,1-2H3 |
| InChIKey | JDVUMGUHKLDEQL-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 | AzNojSB3e8O |
|---|---|
| Name | Hexanenitrile, 3-methyl- |
| CAS Registry Number | 53783-89-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H13N |
| InChI | InChI=1S/C7H13N/c1-3-4-7(2)5-6-8/h7H,3-5H2,1-2H3 |
| InChIKey | JDVUMGUHKLDEQL-UHFFFAOYSA-N |
| Molecular Weight | 111.188 g/mol |
| SMILES | C(C(CC#N)C)CC |
| SPLASH | splash10-0a4i-9000000000-b648c91edc75c6f1f09e |
| Source of Spectrum | E-34-27-10 |
| Synonyms | 3-Methylhexanenitrile |
| Wiley ID | 1122881 |