| SpectraBase Compound ID | 4gqKpbpbpnX |
|---|---|
| InChI | InChI=1S/C12H13NO2/c1-4-15-12(14)10-5-8(2)11(7-13)9(3)6-10/h5-6H,4H2,1-3H3 |
| InChIKey | PBIVJCCDRQYWSV-UHFFFAOYSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C12H13NO2 |
| Exact Mass | 203.094629 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B3wCMJtE9iK |
|---|---|
| Name | Ethyl 4-cyano-3,5-dimethylbenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13NO2 |
| InChI | InChI=1S/C12H13NO2/c1-4-15-12(14)10-5-8(2)11(7-13)9(3)6-10/h5-6H,4H2,1-3H3 |
| InChIKey | PBIVJCCDRQYWSV-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 203.241 g/mol |
| SMILES | CCOC(=O)c1cc(c(c(c1)C)C#N)C |
| SPLASH | splash10-0pdi-1910000000-4bc693c0b114e26d8203 |
| Source of Spectrum | SRH-2022-9629-0 |
| Wiley ID | 1831276 |