| SpectraBase Compound ID | KB5M1qSCt7g |
|---|---|
| InChI | InChI=1S/C9H12/c1-6-9(5,7-2)8(3)4/h1-2,8H,3-5H3 |
| InChIKey | XXTTWKZOLDIPIT-UHFFFAOYSA-N |
| Mol Weight | 120.19 g/mol |
| Molecular Formula | C9H12 |
| Exact Mass | 120.0939 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FS9gUsVsoVk |
|---|---|
| Name | 3-Methyl-3-(1'-methylethyl)-1,4-pentadiyne |
| Alternate Name(s) | 3-isopropyl-3-methyl-1,4-pentadiyne |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H12 |
| InChI | InChI=1S/C9H12/c1-6-9(5,7-2)8(3)4/h1-2,8H,3-5H3 |
| InChIKey | XXTTWKZOLDIPIT-UHFFFAOYSA-N |
| Molecular Weight | 120.195 g/mol |
| SMILES | C(C(C#C)(C(C)C)C)#C |
| SPLASH | splash10-0pdl-9400000000-1a5f4b125b24d529016a |
| Source of Spectrum | U-1995-1108-290 |
| Wiley ID | 766963 |