| SpectraBase Compound ID | 4InrnNzyeAD |
|---|---|
| InChI | InChI=1S/C12H14O3/c1-15-12(14)11-8-3-2-6-10(11)7-4-5-9-13/h2-3,6,8-9H,4-5,7H2,1H3 |
| InChIKey | NLADAYDTGCXOOV-UHFFFAOYSA-N |
| Mol Weight | 206.24 g/mol |
| Molecular Formula | C12H14O3 |
| Exact Mass | 206.094294 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2YmbRNVVrFC |
|---|---|
| Name | methyl 2-(4-oxobutyl)benzoate |
| Appearance | Oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H14O3 |
| InChI | InChI=1S/C12H14O3/c1-15-12(14)11-8-3-2-6-10(11)7-4-5-9-13/h2-3,6,8-9H,4-5,7H2,1H3 |
| InChIKey | NLADAYDTGCXOOV-UHFFFAOYSA-N |
| Ionization Type | EI |
| Molecular Weight | 206.241 g/mol |
| SMILES | c1cc(c(cc1)CCCC=O)C(OC)=O |
| SPLASH | splash10-03di-0900000000-8367eff64db26236e9bf |
| Source of Spectrum | WO2012150280A2 |
| Wiley ID | 1846907 |