| SpectraBase Compound ID | KuInyulEGb0 |
|---|---|
| InChI | InChI=1S/C11H11NO2/c1-8(2)14-11(13)10-6-4-3-5-9(10)7-12/h3-6,8H,1-2H3 |
| InChIKey | LPBRQJZTZBVZJA-UHFFFAOYSA-N |
| Mol Weight | 189.21 g/mol |
| Molecular Formula | C11H11NO2 |
| Exact Mass | 189.078979 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GRctKbJgiEM |
|---|---|
| Name | Isopropyl 2-cyanobenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H11NO2 |
| InChI | InChI=1S/C11H11NO2/c1-8(2)14-11(13)10-6-4-3-5-9(10)7-12/h3-6,8H,1-2H3 |
| InChIKey | LPBRQJZTZBVZJA-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1021/ol5026519 |
| Molecular Weight | 189.214 g/mol |
| SMILES | c1cc(C#N)c(cc1)C(=O)OC(C)C |
| SPLASH | splash10-0f89-0900000000-b1068651af10f43e338d |
| Source of Spectrum | A1-16-5220/SMS4-2d |
| Wiley ID | 1751393 |