| SpectraBase Compound ID | D5ZUABPLTbQ |
|---|---|
| InChI | InChI=1S/C7H13N/c1-6(2)4-7(3)5-8/h6-7H,4H2,1-3H3 |
| InChIKey | COXCGWKSEPPDAA-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 | Ju4eAbOBo9l |
|---|---|
| Name | 2,4-Dimethylvaleronitrile |
| Alternate Name(s) | 2,4-Dimethylpentanenitrile |
| CAS Registry Number | 69975-94-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H13N |
| InChI | InChI=1S/C7H13N/c1-6(2)4-7(3)5-8/h6-7H,4H2,1-3H3 |
| InChIKey | COXCGWKSEPPDAA-UHFFFAOYSA-N |
| Molecular Weight | 111.188 g/mol |
| SMILES | C(#N)C(CC(C)C)C |
| SPLASH | splash10-0aor-9000000000-a1784259ff0a7e33eaa9 |
| Source of Spectrum | J-55-1074-7 |
| Wiley ID | 1122915 |