| SpectraBase Compound ID | 5ooXHdxXk3S |
|---|---|
| InChI | InChI=1S/C7H12/c1-5-6-7(2,3)4/h1H,6H2,2-4H3 |
| InChIKey | KHBYKPSFBHWBJQ-UHFFFAOYSA-N |
| Mol Weight | 96.17 g/mol |
| Molecular Formula | C7H12 |
| Exact Mass | 96.0939 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DFpYtoZKPZC |
|---|---|
| Name | 1-Pentyne, 4,4-dimethyl- |
| Alternate Name(s) | 4,4-Dimethyl-1-pentyne 4,4-Dimethylpent-1-yne |
| CAS Registry Number | 13361-63-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12 |
| InChI | InChI=1S/C7H12/c1-5-6-7(2,3)4/h1H,6H2,2-4H3 |
| InChIKey | KHBYKPSFBHWBJQ-UHFFFAOYSA-N |
| Molecular Weight | 96.173 g/mol |
| SMILES | C(#C)CC(C)(C)C |
| SPLASH | splash10-0a7l-9000000000-10a9fea0dd7f65bbd0b3 |
| Source of Spectrum | C-111-4927-0 |
| Wiley ID | 1118317 |