| SpectraBase Compound ID | 27NKqfyAEl7 |
|---|---|
| InChI | InChI=1S/C12H11NOS/c1-2-3-8-14-9-12-13-10-6-4-5-7-11(10)15-12/h4-7H,8-9H2,1H3 |
| InChIKey | GEZDVLWORRROJJ-UHFFFAOYSA-N |
| Mol Weight | 217.29 g/mol |
| Molecular Formula | C12H11NOS |
| Exact Mass | 217.056135 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KZXqxIs23zd |
|---|---|
| Name | 2-(but-2-ynoxymethyl)-1,3-benzothiazole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H11NOS |
| InChI | InChI=1S/C12H11NOS/c1-2-3-8-14-9-12-13-10-6-4-5-7-11(10)15-12/h4-7H,8-9H2,1H3 |
| InChIKey | GEZDVLWORRROJJ-UHFFFAOYSA-N |
| Molecular Weight | 217.286 g/mol |
| SMILES | c1(sc2c(n1)cccc2)COCC#CC |
| SPLASH | splash10-0002-0940000000-c873a50365aef33acaf7 |
| Source of Spectrum | U1-2002-3468-2 |
| Wiley ID | 1523281 |