![(Benzo[b]thiophene-3-yl)(cyano)methyl acetate](/api/spectrum/IPAwUyZPwGv/structure.png?h=300&w=458 "(Benzo[b]thiophene-3-yl)(cyano)methyl acetate")
| SpectraBase Compound ID | KkLkbnlh0Ku |
|---|---|
| InChI | InChI=1S/C12H9NO2S/c1-8(14)15-11(6-13)10-7-16-12-5-3-2-4-9(10)12/h2-5,7,11H,1H3 |
| InChIKey | OGJKKBKEMKYHBE-UHFFFAOYSA-N |
| Mol Weight | 231.27 g/mol |
| Molecular Formula | C12H9NO2S |
| Exact Mass | 231.0354 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IPAwUyZPwGv |
|---|---|
| Name | (Benzo[b]thiophene-3-yl)(cyano)methyl acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H9NO2S |
| InChI | InChI=1S/C12H9NO2S/c1-8(14)15-11(6-13)10-7-16-12-5-3-2-4-9(10)12/h2-5,7,11H,1H3 |
| InChIKey | OGJKKBKEMKYHBE-UHFFFAOYSA-N |
| Molecular Weight | 231.269 g/mol |
| SMILES | c1(csc2c1cccc2)C(C#N)OC(=O)C |
| SPLASH | splash10-0fe0-0900000000-07dd5f7a20635c64be48 |
| Source of Spectrum | QC-21-449-3d |
| Wiley ID | 1713361 |