| SpectraBase Compound ID | EBH7UrFAJqG |
|---|---|
| InChI | InChI=1S/C16H20O2/c1-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18-2/h10-13H,3-7H2,1-2H3 |
| InChIKey | HMANKCKKGVNOEO-UHFFFAOYSA-N |
| Mol Weight | 244.33 g/mol |
| Molecular Formula | C16H20O2 |
| Exact Mass | 244.14633 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BO54w8YigBn |
|---|---|
| Name | Methyl 4-(oct-1-yn-1-yl)benzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H20O2 |
| InChI | InChI=1S/C16H20O2/c1-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18-2/h10-13H,3-7H2,1-2H3 |
| InChIKey | HMANKCKKGVNOEO-UHFFFAOYSA-N |
| Molecular Weight | 244.334 g/mol |
| SMILES | C(c1ccc(cc1)C#CCCCCCC)(=O)OC |
| SPLASH | splash10-0g2c-0950000000-76f8122600bc5c188f1d |
| Source of Spectrum | RSA-5-18968-3i |
| Wiley ID | 1802799 |