| SpectraBase Compound ID | 5BllDx0uRFk |
|---|---|
| InChI | InChI=1S/C16H16/c1-5-12-6-7-13-8-9-14(16(2,3)4)10-11-15(12)13/h1,6-11H,2-4H3 |
| InChIKey | SIXIVGYBICTGJS-UHFFFAOYSA-N |
| Mol Weight | 208.3 g/mol |
| Molecular Formula | C16H16 |
| Exact Mass | 208.125201 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | A1I8djdnUaI |
|---|---|
| Name | 6-tert-Butyl-1-ethynylazulene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H16 |
| InChI | InChI=1S/C16H16/c1-5-12-6-7-13-8-9-14(16(2,3)4)10-11-15(12)13/h1,6-11H,2-4H3 |
| InChIKey | SIXIVGYBICTGJS-UHFFFAOYSA-N |
| Molecular Weight | 208.304 g/mol |
| SMILES | c1(ccc2ccc(ccc12)C(C)(C)C)C#C |
| SPLASH | splash10-0a4i-1790000000-f07cd452b1742618e85f |
| Source of Spectrum | K1-0-798-3 |
| Wiley ID | 1588334 |