| SpectraBase Compound ID | FR8Q54Ff2hq |
|---|---|
| InChI | InChI=1S/C13H13N/c1-11(2)6-5-9-12-7-3-4-8-13(12)10-14/h3-4,7-8,11H,6H2,1-2H3 |
| InChIKey | MDWGYNFLBGJUIJ-UHFFFAOYSA-N |
| Mol Weight | 183.25 g/mol |
| Molecular Formula | C13H13N |
| Exact Mass | 183.104799 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8oCIaRyri2e |
|---|---|
| Name | 2-(4-Methylpent-1-ynyl)benzonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H13N |
| InChI | InChI=1S/C13H13N/c1-11(2)6-5-9-12-7-3-4-8-13(12)10-14/h3-4,7-8,11H,6H2,1-2H3 |
| InChIKey | MDWGYNFLBGJUIJ-UHFFFAOYSA-N |
| Molecular Weight | 183.254 g/mol |
| SMILES | C(#Cc1c(C#N)cccc1)CC(C)C |
| SPLASH | splash10-0006-0900000000-1092cd72e61ecf95ccab |
| Source of Spectrum | F-65-8369-3m |
| Wiley ID | 1679514 |