| SpectraBase Compound ID | 5CZK1TeUf7i |
|---|---|
| InChI | InChI=1S/C15H18O2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h9-12H,2-6H2,1H3,(H,16,17) |
| InChIKey | SWOCJPUQWIQEJY-UHFFFAOYSA-N |
| Mol Weight | 230.31 g/mol |
| Molecular Formula | C15H18O2 |
| Exact Mass | 230.13068 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Far2gkTdAGo |
|---|---|
| Name | 4-Oct-1-ynylbenzoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H18O2 |
| InChI | InChI=1S/C15H18O2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h9-12H,2-6H2,1H3,(H,16,17) |
| InChIKey | SWOCJPUQWIQEJY-UHFFFAOYSA-N |
| Molecular Weight | 230.307 g/mol |
| SMILES | OC(c1ccc(C#CCCCCCC)cc1)=O |
| SPLASH | splash10-00or-0920000000-e7991075bb4673018c80 |
| Source of Spectrum | CV-0-175-0 |
| Wiley ID | 849268 |