| SpectraBase Compound ID | GrJyLWZpapF |
|---|---|
| InChI | InChI=1S/C13H10O3/c1-16-13(15)12-9-5-4-8-11(12)7-3-2-6-10-14/h4-5,8-9,14H,10H2,1H3 |
| InChIKey | SIPMYNGGPKKMMD-UHFFFAOYSA-N |
| Mol Weight | 214.22 g/mol |
| Molecular Formula | C13H10O3 |
| Exact Mass | 214.062994 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2fjFXtEu00 |
|---|---|
| Name | Methyl 2-(5-hydroxypenta-1,3-diynyl)benzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H10O3 |
| InChI | InChI=1S/C13H10O3/c1-16-13(15)12-9-5-4-8-11(12)7-3-2-6-10-14/h4-5,8-9,14H,10H2,1H3 |
| InChIKey | SIPMYNGGPKKMMD-UHFFFAOYSA-N |
| Molecular Weight | 214.220 g/mol |
| SMILES | OCC#CC#Cc1c(C(=O)OC)cccc1 |
| SPLASH | splash10-02t9-0930000000-84183e3a3c1852e1b54a |
| Source of Spectrum | F4-40-3991-3ba |
| Wiley ID | 1671482 |