| SpectraBase Compound ID | 6kMhY412fuC |
|---|---|
| InChI | InChI=1S/C13H12O3/c1-3-16-13(15)12-8-6-11(7-9-12)5-4-10(2)14/h6-9H,3H2,1-2H3 |
| InChIKey | USWVHZGGWKZZKV-UHFFFAOYSA-N |
| Mol Weight | 216.24 g/mol |
| Molecular Formula | C13H12O3 |
| Exact Mass | 216.078644 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9rDJsdWhwpY |
|---|---|
| Name | Ethyl 4-(3-Oxobut-1-ynyl)benzoate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H12O3 |
| InChI | InChI=1S/C13H12O3/c1-3-16-13(15)12-8-6-11(7-9-12)5-4-10(2)14/h6-9H,3H2,1-2H3 |
| InChIKey | USWVHZGGWKZZKV-UHFFFAOYSA-N |
| Molecular Weight | 216.236 g/mol |
| SMILES | C(#Cc1ccc(C(=O)OCC)cc1)C(=O)C |
| SPLASH | splash10-0udi-0090000000-ecbcb9488d32ff6369bc |
| Source of Spectrum | F4-44-1572-2i |
| Wiley ID | 1707147 |