| SpectraBase Compound ID | fvUtx6CV3i |
|---|---|
| InChI | InChI=1S/C6H6OS/c1-8-6-4-2-3-5-7/h2-3,5H,1H3/b3-2+ |
| InChIKey | REQQTYZAPCXETB-NSCUHMNNSA-N |
| Mol Weight | 126.17 g/mol |
| Molecular Formula | C6H6OS |
| Exact Mass | 126.013936 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1CEvzjl3t5z |
|---|---|
| Name | 5-(Methylthio)pent-2-en-4-ynal |
| Alternate Name(s) | (2E)-5-(methylsulfanyl)-2-penten-4-ynal |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H6OS |
| InChI | InChI=1S/C6H6OS/c1-8-6-4-2-3-5-7/h2-3,5H,1H3/b3-2+ |
| InChIKey | REQQTYZAPCXETB-NSCUHMNNSA-N |
| Molecular Weight | 126.173 g/mol |
| SMILES | C(#CSC)\C=C\C=O |
| SPLASH | splash10-03gi-5900000000-a1f28dee8d55ba7af037 |
| Source of Spectrum | H-83-648-14 |
| Wiley ID | 846899 |