| SpectraBase Compound ID | JZXNSmD6EkV |
|---|---|
| InChI | InChI=1S/C12H13NO4/c1-15-10-5-4-8(6-11(10)16-2)9(7-13)12(14)17-3/h4-6,9H,1-3H3 |
| InChIKey | DUGGTIYZQSBNOY-UHFFFAOYSA-N |
| Mol Weight | 235.24 g/mol |
| Molecular Formula | C12H13NO4 |
| Exact Mass | 235.084458 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2XGBR1I6v3r |
|---|---|
| Name | Methyl 2-(3,4-dimethoxyphenyl)-2-cyanoacetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13NO4 |
| InChI | InChI=1S/C12H13NO4/c1-15-10-5-4-8(6-11(10)16-2)9(7-13)12(14)17-3/h4-6,9H,1-3H3 |
| InChIKey | DUGGTIYZQSBNOY-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 235.239 g/mol |
| SMILES | COC(=O)C(C#N)c1ccc(c(c1)OC)OC |
| SPLASH | splash10-004i-1920000000-89ab44f404b6bf772345 |
| Source of Spectrum | SRH-2022-5141-0 |
| Wiley ID | 1827259 |