| SpectraBase Compound ID | 4w4NdhhQdqA |
|---|---|
| InChI | InChI=1S/C21H28/c1-5-6-7-8-9-10-11-12-13-14-15-21-17-19(3)18(2)16-20(21)4/h16-17H,5-11H2,1-4H3 |
| InChIKey | YWXINNUXOJVQLW-UHFFFAOYSA-N |
| Mol Weight | 280.45 g/mol |
| Molecular Formula | C21H28 |
| Exact Mass | 280.219101 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 48Xn2Vr5fs |
|---|---|
| Name | 1-Dodeca-1,3-diynyl-2,4,5-trimethyl-benzene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28 |
| InChI | InChI=1S/C21H28/c1-5-6-7-8-9-10-11-12-13-14-15-21-17-19(3)18(2)16-20(21)4/h16-17H,5-11H2,1-4H3 |
| InChIKey | YWXINNUXOJVQLW-UHFFFAOYSA-N |
| Molecular Weight | 280.455 g/mol |
| SMILES | C(C#CCCCCCCCC)#Cc1cc(C)c(cc1C)C |
| SPLASH | splash10-00lr-2960000000-6642233f45ef48cc38e2 |
| Source of Spectrum | H-2005-886-29 |
| Wiley ID | 1562427 |